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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 114 occurrences of 81 keywords
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Results
Found 1974 publication records. Showing 1974 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
116 | Maria I. Zavodszky, Andrew W. Stumpff-Kane, David J. Lee, Michael Feig |
Scoring confidence index: statistical evaluation of ligand binding mode predictions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(5), pp. 289-299, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Binding orientation, Correlation-based score, Energy landscape, Scoring function, Protein-ligand docking |
104 | William Novak, Hongming Wang, Goran Krilov |
Role of protein flexibility in the design of Bcl-XL targeting agents: insight from molecular dynamics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(1), pp. 49-61, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Protein flexibility, Protein-protein interfaces, Bcl-XL, Ligand-protein interactions, ABT-737, Molecular dynamics |
103 | Hooman Shadnia, James S. Wright, James M. Anderson |
Interaction force diagrams: new insight into ligand-receptor binding. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(3), pp. 185-194, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Force vectors, Interaction Force Fingerprints, IFFP, Ligand-receptor, Estrogen receptor, Selectivity |
93 | Hiroshi Kobayashi, Ryuzo Azuma, Akihiko Konagaya |
Kinetic Analysis of Ligand-Receptor Complex Formation with the Aid of Computer Simulation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
AINA Workshops (1) ![In: 21st International Conference on Advanced Information Networking and Applications (AINA 2007), Workshops Proceedings, Volume 1, May 21-23, 2007, Niagara Falls, Canada, pp. 727-732, 2007, IEEE Computer Society. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
90 | Kimberly A. Reynolds, Vsevolod Katritch, Ruben Abagyan |
Identifying conformational changes of the beta2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(5), pp. 273-288, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
?2 Adrenoceptor, Agonist, Virtual ligand screening, GPCR, MMFF, Homology model, G-protein coupled receptor |
80 | Prasad Gunasekaran, Scott Grandison, Kevin Cowtan, Lora Mak, David M. Lawson, Richard J. Morris |
Ligand Electron Density Shape Recognition Using 3D Zernike Descriptors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PRIB ![In: Pattern Recognition in Bioinformatics, 4th IAPR International Conference, PRIB 2009, Sheffield, UK, September 7-9, 2009. Proceedings, pp. 125-136, 2009, Springer, 978-3-642-04030-6. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
electron density, protein crystallography, 3D Zernike moments, pattern recognition, structural bioinformatics |
80 | Joanna Lipinski-Kruszka, Rahul Singh |
Integrative Geometric-Hashing Approaches to Binding Site Modeling and Ligand-Protein Interaction Prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISVC (1) ![In: Advances in Visual Computing, Third International Symposium, ISVC 2007, Lake Tahoe, NV, USA, November 26-28, 2007, Proceedings, Part I, pp. 179-188, 2007, Springer, 978-3-540-76857-9. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
80 | Mehrdad Ghaemi, Nasrollah Rezaei-Ghaleh, Mohammad-Nabi Sarbolouki |
Directed Ligand Passage over the Surface of Diffusion-Controlled Enzymes: A Cellular Automata Model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACRI ![In: Cellular Automata, 6th International Conference on Cellular Automata for Research and Industry, ACRI 2004, Amsterdam, The Netherlands, October 25-28, 2004, Proceedings, pp. 719-724, 2004, Springer, 3-540-23596-5. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
76 | Oliver Korb, Thomas Stützle, Thomas E. Exner |
An ant colony optimization approach to flexible protein-ligand docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Swarm Intell. ![In: Swarm Intell. 1(2), pp. 115-134, 2007. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Cross-docking, Ant colony optimization, Virtual screening, Protein-ligand docking |
76 | Bekir Ergüner, Özgün Erdogan, Osman Ugur Sezerman |
Prediction and Classification for GPCR Sequences Based on Ligand Specific Features. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISCIS ![In: Computer and Information Sciences - ISCIS 2006, 21th International Symposium, Istanbul, Turkey, November 1-3, 2006, Proceedings, pp. 174-181, 2006, Springer, 3-540-47242-8. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
G-Protein Coupled Receptors (GPCRs), ligand specificity, GPCR sequence |
66 | Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. Das 0001 |
A Computationally Fast and Parametric Model to Estimate Protein-Ligand Docking Time for Stochastic Event Based Simulation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Trans. Comp. Sys. Biology ![In: Transactions on Computational Systems Biology VIII, pp. 14-41, 2007, Springer, 978-3-540-76638-4. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
63 | Wensheng Shen, Changjiang Zhang, Jun Zhang 0001 |
Multiscale simulation of ligand-receptor binding and dissociation in circulation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACM Southeast Regional Conference ![In: Proceedings of the 45th Annual Southeast Regional Conference, 2007, Winston-Salem, North Carolina, USA, March 23-24, 2007, pp. 519-520, 2007, ACM, 978-1-59593-629-5. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
ligand-receptor interaction, multiscale modeling, nonlinear differential equation |
54 | Oliver Korb, Thomas Stützle, Thomas E. Exner |
PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ANTS Workshop ![In: Ant Colony Optimization and Swarm Intelligence, 5th International Workshop, ANTS 2006, Brussels, Belgium, September 4-7, 2006, Proceedings, pp. 247-258, 2006, Springer, 3-540-38482-0. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
54 | Jinn-Moon Yang |
An Evolutionary Approach for Molecular Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GECCO ![In: Genetic and Evolutionary Computation - GECCO 2003, Genetic and Evolutionary Computation Conference, Chicago, IL, USA, July 12-16, 2003. Proceedings, Part II, pp. 2372-2383, 2003, Springer, 3-540-40603-4. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
53 | Bo-Fu Liu, Hung-Ming Chen, Hui-Ling Huang, Shiow-Fen Hwang, Shinn-Ying Ho |
Flexible protein-ligand docking using particle swarm optimization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Congress on Evolutionary Computation ![In: Proceedings of the IEEE Congress on Evolutionary Computation, CEC 2005, 2-4 September 2005, Edinburgh, UK, pp. 251-258, 2005, IEEE, 0-7803-9363-5. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
53 | Darby Tien-Hao Chang, Chien-Yu Chen 0001, Yen-Jen Oyang, Hsueh-Fen Juan, Hsuan-Cheng Huang |
An Efficient Mechanism for Prediction of Protein-Ligand Interactions Based on Analysis of Protein Tertiary Substructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBE ![In: 4th IEEE International Symposium on BioInformatics and BioEngineering (BIBE 2004), 19-21 March 2004, Taichung, Taiwan, pp. 427-433, 2004, IEEE Computer Society, 0-7695-2173-8. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
protein structural analysis, protein tertiary structure, kernel density estimation |
53 | Vladimir V. Krepets, Natalya V. Belkina |
Prediction of Binding Affinities for Protein-ligand Complexes with Neural Network Models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Discovery Science ![In: Discovery Science, Third International Conference, DS 2000, Kyoto, Japan, December 4-6, 2000, Proceedings, pp. 240-241, 2000, Springer, 3-540-41352-9. The full citation details ...](Pics/full.jpeg) |
2000 |
DBLP DOI BibTeX RDF |
|
50 | Ignasi Belda, Xavier Llorà, Ernest Giralt |
Evolutionary algorithms and de novo peptide design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Soft Comput. ![In: Soft Comput. 10(4), pp. 295-304, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
Ligand design, Peptide design, Genetic algorithms, Evolutionary algorithms, Surface patch |
50 | Ryan H. Lilien, Brian W. Stevens, Amy C. Anderson, Bruce Randall Donald |
A novel ensemble-based scoring and search algorithm for protein redesign, and its application to modify the substrate specificity of the gramicidin synthetase a phenylalanine adenylation enzyme. ![Search on Bibsonomy](Pics/bibsonomy.png) |
RECOMB ![In: Proceedings of the Eighth Annual International Conference on Computational Molecular Biology, 2004, San Diego, California, USA, March 27-31, 2004, pp. 46-57, 2004, ACM, 1-58113-755-9. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
enzyme design, fluorescence binding assay, molecular ensemble, non-ribosomal peptide synthetase, protein flexibility, protein-ligand binding, protein design |
49 | Abiola Oduguwa, Ashutosh Tiwari, S. Fiorentino, Rajkumar Roy |
Multi-objective optimisation of the protein-ligand docking problem in drug discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GECCO ![In: Genetic and Evolutionary Computation Conference, GECCO 2006, Proceedings, Seattle, Washington, USA, July 8-12, 2006, pp. 1793-1800, 2006, ACM, 1-59593-186-4. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
evolutionary computing, drug discovery, multi-objective optimisation, protein-ligand docking |
40 | Juan Cortés, Leonard Jaillet, Thierry Siméon |
Molecular Disassembly With Rrt-Like Algorithms. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICRA ![In: 2007 IEEE International Conference on Robotics and Automation, ICRA 2007, 10-14 April 2007, Roma, Italy, pp. 3301-3306, 2007, IEEE. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
40 | Yuval Inbar, Dina Schneidman-Duhovny, Oranit Dror, Ruth Nussinov, Haim J. Wolfson |
Deterministic Pharmacophore Detection Via Multiple Flexible Alignment of Drug-Like Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
RECOMB ![In: Research in Computational Molecular Biology, 11th Annual International Conference, RECOMB 2007, Oakland, CA, USA, April 21-25, 2007, Proceedings, pp. 412-429, 2007, Springer, 3-540-71680-7. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Computer-Aided Drug Design (CADD), Rational Drug Discovery, 3D Molecular Similarity, 3D Molecular Superposition |
40 | Ruihai Cui, Jingping Zhang |
Energy Partitioning Analysis of the Chemical Bonds in mer -Mq3 (M = AlIII, GaIII, InIII, TlIII). ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science (2) ![In: Computational Science - ICCS 2007, 7th International Conference, Beijing, China, May 27 - 30, 2007, Proceedings, Part II, pp. 331-334, 2007, Springer, 978-3-540-72585-5. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
energy partitioning analysis, Mq3, FMO distribution fashion |
40 | Ashwin Srinivasan 0001, David Page, Rui Camacho, Ross D. King |
Quantitative pharmacophore models with inductive logic programming. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Mach. Learn. ![In: Mach. Learn. 64(1-3), pp. 65-90, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
Pharmacophore models, ILP, Statistical relational learning |
40 | Mikael Peräkylä |
Molecular Dynamics Simulation Studies on the Modulation of Vitamin D Receptor Activity by Agonists and Antagonists. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PARA ![In: Applied Parallel Computing. State of the Art in Scientific Computing, 8th International Workshop, PARA 2006, Umeå, Sweden, June 18-21, 2006, Revised Selected Papers, pp. 82-89, 2006, Springer, 978-3-540-75754-2. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
40 | Andrei Oliveira da Silva, Osmar Norberto de Souza |
A framework for result handling in bioinformatics: an application to computer assisted drug design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SAC ![In: Proceedings of the 2005 ACM Symposium on Applied Computing (SAC), Santa Fe, New Mexico, USA, March 13-17, 2005, pp. 128-132, 2005, ACM, 1-58113-964-0. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
computer assisted drug design, frameworks, bioinformatics, molecular docking, high-throughput computing |
40 | Subhayu Basu, David K. Karig, Ron Weiss |
Engineering signal processing in cells: Towards molecular concentration band detection. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nat. Comput. ![In: Nat. Comput. 2(4), pp. 463-478, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
cell-cell communications, genetic signal processing, synthetic gene networks, cellular computation |
40 | Subhayu Basu, David K. Karig, Ron Weiss |
Engineering Signal Processing in Cells: Towards Molecular Concentration Band Detection. ![Search on Bibsonomy](Pics/bibsonomy.png) |
DNA ![In: DNA Computing, 8th International Workshop on DNA Based Computers, DNA8, Sapporo, Japan, June 10-13, 2002, Revised Papers, pp. 61-72, 2002, Springer, 3-540-00531-5. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
|
39 | Ales Krenek, Martin Petrek, Jan Kmunícek, Jiri Filipovic, Zdenek Sustr, Frantisek Dvorák, Jirí Sitera, Jiri Wiesner, Ludek Matyska |
Multiple Ligand Trajectory Docking Study - Semiautomatic Analysis of Molecular Dynamics Simulations using EGEE gLite Services. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PDP ![In: 16th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP 2008), 13-15 February 2008, Toulouse, France, pp. 447-454, 2008, IEEE Computer Society, 978-0-7695-3089-5. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
39 | Rafael Ördög, Vince Grolmusz |
Evaluating Genetic Algorithms in Protein-Ligand Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISBRA ![In: Bioinformatics Research and Applications, Fourth International Symposium, ISBRA 2008, Atlanta, GA, USA, May 6-9, 2008. Proceedings, pp. 402-413, 2008, Springer, 978-3-540-79449-3. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
39 | Karina S. Machado, Evelyn K. Schroeder, Duncan D. Ruiz, Ana Wink, Osmar Norberto de Souza |
Extracting Information from Flexible Receptor-Flexible Ligand Docking Experiments. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BSB ![In: Advances in Bioinformatics and Computational Biology, Third Brazilian Symposium on Bioinformatics, BSB 2008, Santo André, Brazil, August 28-30, 2008. Proceedings, pp. 104-114, 2008, Springer, 978-3-540-85556-9. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
AutoDock, Data Mining, Molecular Docking, Molecular Dynamics Simulation, WEKA |
39 | Scooter Willis |
Protein CorreLogo: an X3D representation of co-evolving pairs, tertiary structure, ligand binding pockets and protein-protein interactions in protein families. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Web3D ![In: Proceeding of the Twelfth International Conference on 3D Web Technology, Web3D 2007, Perugia, Italy, April 15-18, 2007, pp. 71-80, 2007, ACM, 978-1-59593-652-3. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
Protein CorreLogo, mutual information, X3D |
39 | David Abramson 0001, Céline Amoreira, Kim K. Baldridge, Laura Berstis, Chris Kondric, Tom Peachey |
A Flexible Grid Framework for Automatic Protein-Ligand Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
e-Science ![In: Second International Conference on e-Science and Grid Technologies (e-Science 2006), 4-6 December 2006, Amsterdam, The Netherlands, pp. 47, 2006, IEEE Computer Society, 0-7695-2734-5. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
39 | Burcu Bakir, Osman Ugur Sezerman |
Functional Classification of G-Protein Coupled Receptors, Based on Their Specific Ligand Coupling Patterns. ![Search on Bibsonomy](Pics/bibsonomy.png) |
EvoWorkshops ![In: Applications of Evolutionary Computing, EvoWorkshops 2006: EvoBIO, EvoCOMNET, EvoHOT, EvoIASP, EvoINTERACTION, EvoMUSART, and EvoSTOC, Budapest, Hungary, April 10-12, 2006, Proceedings, pp. 1-12, 2006, Springer, 3-540-33237-5. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
39 | Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. Das 0001, Simon Daefler |
A Stochastic model to estimate the time taken for Protein-Ligand Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CIBCB ![In: Proceedings of the 2006 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, CIBCB 2006, Renaissance Hotel Downtown, Toronto, Ontario, Canada, September 28-29, 2006, pp. 1-8, 2006, IEEE, 1-4244-0623-4. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
39 | Yaohang Li, Michael Mascagni, Michael H. Peter |
Grid-based Nonequilibrium Multiple-Time Scale Molecular Dynamics/Brownian Dynamics Simulations of Ligand-Receptor Interactions in Structured Protein Systems. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CCGRID ![In: 3rd IEEE International Symposium on Cluster Computing and the Grid (CCGrid 2003), 12-15 May 2003, Tokyo, Japan, pp. 568-573, 2003, IEEE Computer Society, 0-7695-1919-9. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
39 | Ruben Abagyan |
Computational structural proteomics and virtual ligand screening. ![Search on Bibsonomy](Pics/bibsonomy.png) |
RECOMB ![In: Proceedings of the Sixth Annual International Conference on Computational Biology, RECOMB 2002, Washington, DC, USA, April 18-21, 2002, pp. 1, 2002, ACM, 1-58113-498-3. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
|
38 | Caihua Wang, Juan Liu 0007, Fei Luo 0004, Zixing Deng, Qian-Nan Hu |
Predicting target-ligand interactions using protein ligand-binding site and ligand substructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Syst. Biol. ![In: BMC Syst. Biol. 9(S-1), pp. S2, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
38 | Yousef Jamali, Tahereh Jamali, Mohammad R. Kaazempur Mofrad |
An agent based model of integrin clustering: Exploring the role of ligand clustering, integrin homo-oligomerization, integrin-ligand affinity, membrane crowdedness and ligand mobility. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Phys. ![In: J. Comput. Phys. 244, pp. 264-278, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
38 | Violeta I. Pérez-Nueno, David W. Ritchie, Obdulia Rabal, Rosalia Pascual, José I. Borrell, Jordi Teixidó |
Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand-Receptor Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 48(3), pp. 509-533, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
38 | Markus H. J. Seifert |
ProPose: Steered Virtual Screening by Simultaneous Protein-Ligand Docking and Ligand-Ligand Alignment. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 45(2), pp. 449-460, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
38 | Jae-Min Shin, Doo-Ho Cho |
PDB-Ligand: a ligand database based on PDB for the automated and customized classification of ligand-binding structures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 33(Database-Issue), pp. 238-241, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
37 | Pekka Tiikkainen, Antti Poso, Olli-P. Kallioniemi |
Comparison of structure fingerprint and molecular interaction field based methods in explaining biological similarity of small molecules in cell-based screens. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(4), pp. 227-239, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Ligand-based virtual screening, NCI-60, Chemical similarity, Data fusion |
37 | Yan-Li Hu, Liang Bai, Weiming Zhang 0003, Weidong Xiao, Zhong Liu |
An Adaptive Scheduling Algorithm for Molecule Docking Design on Grid. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GCC ![In: Grid and Cooperative Computing - GCC 2005, 4th International Conference, Beijing, China, November 30 - December 3, 2005, Proceedings, pp. 312-322, 2005, Springer, 3-540-30510-6. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
ligand, receptor, time-balancing, Grid, jobs scheduling, Molecular docking |
36 | Lincong Wang |
The Geometric and Electrostatic Properties of Binding Cavities and Their Usage in Protein-Ligand Docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
FCST ![In: Fifth International Conference on Frontier of Computer Science and Technology, FCST 2010, Changchun, Jilin Province, China, August 18-22, 2010, pp. 442-447, 2010, IEEE Computer Society, 978-0-7695-4139-6. The full citation details ...](Pics/full.jpeg) |
2010 |
DBLP DOI BibTeX RDF |
electrostatic interaction, Scoring function, Protein-ligand docking |
36 | Chong-Min Kim, Chung In Won, Joonghyun Ryu, Jae-Kwan Kim 0001, Jong Bhak, Deok-Soo Kim |
Protein-Ligand Docking Based on ss-shape. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ISVD ![In: Sixth International Symposium on Voronoi Diagrams, ISVD 2009, Copenhagen, Denmark, June 23-26, 2009, pp. 245-253, 2009, IEEE Computer Society, 978-0-7695-3781-8. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
ß-shape, pocket, Voronoi diagram, Protein-ligand docking |
27 | Vincent Danos, Jérôme Feret, Walter Fontana, Russell Harmer, Jean Krivine |
Rule-Based Modelling and Model Perturbation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Trans. Comp. Sys. Biology ![In: Transactions on Computational Systems Biology XI, pp. 116-137, 2009, Springer, 978-3-642-04185-3. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
27 | Jacob Kongsted, Ulf Ryde |
An improved method to predict the entropy term with the MM/PBSA approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(2), pp. 63-71, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
MM/PBSA, Avidin, Factor Xa, Cytochrome P450, Entropy |
27 | Haiyun Lu, Hao Li 0032, Shamima Banu Bte Sm Rashid, Wee Kheng Leow, Yih-Cherng Liou |
Knowledge-Guided Docking of WW Domain Proteins and Flexible Ligands. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PRIB ![In: Pattern Recognition in Bioinformatics, 4th IAPR International Conference, PRIB 2009, Sheffield, UK, September 7-9, 2009. Proceedings, pp. 175-186, 2009, Springer, 978-3-642-04030-6. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
27 | Roberto Andreani, José Mario Martínez, Leandro Martínez, Flávio S. Yano |
Continuous optimization methods for structure alignments. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Math. Program. ![In: Math. Program. 112(1), pp. 93-124, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Protein alignment, Order-value optimization, Continuous optimization, Gauss-Newton method, Structural alignment |
27 | Bruno Daunay, Alain Micaelli, Stephane Régnier |
6 DOF haptic feedback for molecular docking using wave variables. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICRA ![In: 2007 IEEE International Conference on Robotics and Automation, ICRA 2007, 10-14 April 2007, Roma, Italy, pp. 840-845, 2007, IEEE. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
27 | Gennady Verkhivker |
Computational Proteomics of Biomolecular Interactions in Sequence and Structure Space of the Tyrosine Kinome: Evolutionary Constraints and Protein Conformational Selection Determine Binding Signatures of Cancer Drugs. ![Search on Bibsonomy](Pics/bibsonomy.png) |
WILF ![In: Applications of Fuzzy Sets Theory, 7th International Workshop on Fuzzy Logic and Applications, WILF 2007, Camogli, Italy, July 7-10, 2007, Proceedings, pp. 604-611, 2007, Springer, 978-3-540-73399-7. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
27 | Petter Bivall Persson, Matthew D. Cooper, Lena A. E. Tibell, Shaaron Ainsworth, Anders Ynnerman, Bengt-Harald Jonsson |
Designing and Evaluating a Haptic System for Biomolecular Education. ![Search on Bibsonomy](Pics/bibsonomy.png) |
VR ![In: IEEE Virtual Reality Conference, VR 2007, 10-14 March 2007, Charlotte, NC, USA, Proceedings, pp. 171-178, 2007, IEEE Computer Society, 1-4244-0905-5. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
|
27 | Anthonin Reilhac, Alan C. Evans, Gérard Gimenez, Nicolas Costes 0001 |
Creation and Application of a Simulated Database of Dynamic 18MPPF PET Acquisitions Incorporating Inter-Individual Anatomical and Biological Variability. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Trans. Medical Imaging ![In: IEEE Trans. Medical Imaging 25(11), pp. 1431-1439, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
27 | Ignasi Belda, Xavier Llorà, Marc Martinell, Teresa Tarragó, Ernest Giralt |
Computer-Aided Peptide Evolution for Virtual Drug Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
GECCO (1) ![In: Genetic and Evolutionary Computation - GECCO 2004, Genetic and Evolutionary Computation Conference, Seattle, WA, USA, June 26-30, 2004, Proceedings, Part I, pp. 321-332, 2004, Springer, 3-540-22344-4. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
27 | David P. Enot, Ross D. King |
Application of Inductive Logic Programming to Structure-Based Drug Design. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PKDD ![In: Knowledge Discovery in Databases: PKDD 2003, 7th European Conference on Principles and Practice of Knowledge Discovery in Databases, Cavtat-Dubrovnik, Croatia, September 22-26, 2003, Proceedings, pp. 156-167, 2003, Springer, 3-540-20085-1. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
27 | Stephen H. Muggleton, Alireza Tamaddoni-Nezhad, Hiroaki Watanabe |
Induction of Enzyme Classes from Biological Databases. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ILP ![In: Inductive Logic Programming: 13th International Conference, ILP 2003, Szeged, Hungary, September 29-October 1, 2003, Proceedings, pp. 269-280, 2003, Springer, 3-540-20144-0. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
27 | Ehud Shapiro |
Invited Lecture - Molecule as Computation: Towards an Abstraction of Biomolecular Systems. ![Search on Bibsonomy](Pics/bibsonomy.png) |
WABI ![In: Algorithms in Bioinformatics, Second International Workshop, WABI 2002, Rome, Italy, September 17-21, 2002, Proceedings, pp. 418, 2002, Springer, 3-540-44211-1. The full citation details ...](Pics/full.jpeg) |
2002 |
DBLP DOI BibTeX RDF |
|
26 | Giovanni Cincilla, David Vidal, Miquel Pons |
An improved scoring function for suboptimal polar ligand complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(3), pp. 143-152, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Solvation, Drug design, Virtual screening, Docking, Scoring function |
26 | Ling Kang, Honglin Li, Hualiang Jiang, Xicheng Wang |
An improved adaptive genetic algorithm for protein-ligand docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 23(1), pp. 1-12, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Genetic algorithms, Self-adaptation, Optimization design, Information entropy, Molecular docking, Penalty function |
26 | Jorge Tavares, Alexandru-Adrian Tantar, Nouredine Melab, El-Ghazali Talbi |
The Influence of Mutation on Protein-Ligand Docking Optimization: A Locality Analysis. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PPSN ![In: Parallel Problem Solving from Nature - PPSN X, 10th International Conference Dortmund, Germany, September 13-17, 2008, Proceedings, pp. 589-598, 2008, Springer, 978-3-540-87699-1. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
26 | Sunil Kumar, Rajni Garg, Srinivas R. Alla, Xiaoyu Zhang, Vivek K. Jalahalli |
3D-Shape analysis of the HIV-1 protease ligand binding site. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CIBCB ![In: Proceedings of the 2008 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, CIBCB 2008, Sun Valley Resort, Sun Valley, Idaho, USA, September 15-17, 2008, pp. 151-158, 2008, IEEE, 978-1-4244-1778-0. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
26 | Paul E. Anderson 0001, Douglas W. Raiford, Deacon J. Sweeney, Travis E. Doom, Michael L. Raymer |
Stochastic Model of Protease-Ligand Reactions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBE ![In: Fifth IEEE International Symposium on Bioinformatic and Bioengineering (BIBE 2005), 19-21 October 2005, Minneapolis, MN, USA, pp. 306-310, 2005, IEEE Computer Society, 0-7695-2476-1. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
26 | Michela Taufer, Michael F. Crowley, Daniel J. Price, Andrew A. Chien, Charles L. Brooks III |
Study of a Highly Accurate and Fast Protein-Ligand Docking Algorithm Based on Molecular Dynamics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IPDPS ![In: 18th International Parallel and Distributed Processing Symposium (IPDPS 2004), CD-ROM / Abstracts Proceedings, 26-30 April 2004, Santa Fe, New Mexico, USA, 2004, IEEE Computer Society, 0-7695-2132-0. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
Force field based methods, docking accuracy, desktop grid computing |
25 | Mingwei Pang, Wangqiu He, Xufeng Lu, Yuting She, Liangxu Xie, Ren Kong, Shan Chang |
CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Bioinform. ![In: BMC Bioinform. 24(1), pp. 444, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
25 | Yuyu Feng 0002, Keqiong Zhang, Qilong Wu 0001, Sheng-You Huang |
NLDock: a Fast Nucleic Acid-Ligand Docking Algorithm for Modeling RNA/DNA-Ligand Complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 61(9), pp. 4771-4782, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
25 | Joanna M. Zarnecka, Iva Lukac, Stephen J. Messham, Alhusein Hussin, Francesco Coppola, Steven J. Enoch, Alexander G. Dossetter, Edward J. Griffen, Andrew G. Leach |
Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 61(4), pp. 1859-1874, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
25 | Hugo Guterres, Sang-Jun Park, Yiwei Cao, Wonpil Im |
CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding Site. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 61(11), pp. 5336-5342, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
25 | Takeshi Ashida, Takeshi Kikuchi |
A new method for estimating the relative binding free energy, derived from a free energy variational principle for the Pim-1-kinase-ligand and FKBP-ligand systems. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 34(6), pp. 647-658, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
25 | Dinesh Kumar Sriramulu, Sun-Gu Lee |
Combinatorial Effect of Ligand and Ligand-Binding Site Hydrophobicities on Binding Affinity. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 60(3), pp. 1678-1684, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
25 | Fergus Boyles, Charlotte M. Deane, Garrett M. Morris |
Learning from the ligand: using ligand-based features to improve binding affinity prediction. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(3), pp. 758-764, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
25 | Melanie Schneider, Jean-Luc Pons, William Bourguet, Gilles Labesse |
Towards accurate high-throughput ligand affinity prediction by exploiting structural ensembles, docking metrics and ligand similarity. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 36(1), pp. 160-168, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
25 | Sebastian Raschka, Benjamin Kaufman |
Machine learning and AI-based approaches for bioactive ligand discovery and GPCR-ligand recognition. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2001.06545, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP BibTeX RDF |
|
25 | Meng Chi Ao, Shirley W. I. Siu |
Evaluating Variants of Firefly Algorithm for Ligand Pose Prediction in Protein-ligand Docking Program. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICBBT ![In: Proceedings of the 12th International Conference on Bioinformatics and Biomedical Technology, ICBBT 2020, Xi'an, China, May 22-24, 2020, pp. 48-54, 2020, ACM, 978-1-4503-7571-9. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
25 | Jinsol Yang, Minkyung Baek, Chaok Seok |
GalaxyDock3: Protein-ligand docking that considers the full ligand conformational flexibility. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 40(31), pp. 2739-2748, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Saad Raza, Kara E. Ranaghan, Marc van der Kamp, Christopher J. Woods, Adrian J. Mulholland, Syed Sikander Azam |
Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 33(5), pp. 461-475, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu 0002, Wenjuan Jiang, Alexander D. MacKerell Jr. |
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 59(6), pp. 3018-3035, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Anmona Shabnam Pranti, Daniel Loof, Sebastian Kunz, Volkmar Zielasek, Marcus Bäumer, Walter Lang |
Ligand-Linked Nanoparticles-Based Hydrogen Gas Sensor with Excellent Homogeneous Temperature Field and a Comparative Stability Evaluation of Different Ligand-Linked Catalysts. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Sensors ![In: Sensors 19(5), pp. 1205, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Zhirui Liao, Ronghui You, Xiaodi Huang, Xiaojun Yao, Tao Huang, Shanfeng Zhu |
DeepDock: Enhancing Ligand-protein Interaction Prediction by a Combination of Ligand and Structure Information. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBM ![In: 2019 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2019, San Diego, CA, USA, November 18-21, 2019, pp. 311-317, 2019, IEEE, 978-1-7281-1867-3. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
25 | Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn |
Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(4), pp. 511-528, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
25 | Polo Chun-Hung Lam, Ruben Abagyan, Maxim Totrov |
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 32(1), pp. 187-198, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
25 | Panagiotis Lagarias, Eleni Vrontaki, George Lambrinidis, Dimitrios Stamatis, Marino Convertino, Gabriella Ortore, Thomas M. Mavromoustakos, Karl Norbert Klotz, Antonios Kolocouris |
Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 58(4), pp. 794-815, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
25 | Qi Wu 0016, Zhenling Peng, Yang Zhang 0040, Jianyi Yang |
COACH-D: improved protein-ligand binding sites prediction with refined ligand-binding poses through molecular docking. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 46(Webserver-Issue), pp. W438-W442, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
25 | Peyton Greenside, Maureen Hillenmeyer, Anshul Kundaje |
Prediction of protein-ligand interactions from paired protein sequence motifs and ligand substructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PSB ![In: Biocomputing 2018: Proceedings of the Pacific Symposium, The Big Island of Hawaii, Hawaii, USA, January 3-7, 2018, pp. 20-31, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP BibTeX RDF |
|
25 | Charles H. Reynolds, Ryan C. Reynolds |
Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 57(12), pp. 3086-3093, December 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
25 | Yuedong Yang, Jian Zhan, Yaoqi Zhou |
SPOT-Ligand: Fast and effective structure-based virtual screening by binding homology search according to ligand and receptor similarity. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 37(18), pp. 1734-1739, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
25 | Sheng-You Huang, Min Li 0007, Jianxin Wang 0001, Yi Pan 0001 |
HybridDock: A Hybrid Protein-Ligand Docking Protocol Integrating Protein- and Ligand-Based Approaches. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 56(6), pp. 1078-1087, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
25 | Pradeep Anand Ravindranath, Michel F. Sanner |
AutoSite: an automated approach for pseudo-ligands prediction - from ligand-binding sites identification to predicting key ligand atoms. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 32(20), pp. 3142-3149, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
25 | Yu Du, Tieliu Shi |
Ligand cluster-based protein network and ePlatton, a multi-target ligand finder. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 8(1), pp. 23:1-23:12, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
25 | Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani |
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(10), pp. 2256-2274, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
25 | Qingliang Shen, Hong Tian, Daoqi Tang, Wenbing Yao, Xiangdong Gao |
Ligand-K* Sequence Elimination: A NovelAlgorithm for Ensemble-Based Redesignof Receptor-Ligand Binding. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE ACM Trans. Comput. Biol. Bioinform. ![In: IEEE ACM Trans. Comput. Biol. Bioinform. 11(3), pp. 573-578, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
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25 | Paraskevi Gkeka, Panagiotis Angelikopoulos, Lev Sarkisov, Zoe Cournia |
Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 10(12), 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
25 | Marcus Malo, Ronnie Persson, Peder Svensson, Kristina Luthman, Lars Brive |
Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 27(3), pp. 277-291, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
25 | Shana L. Posy, Brian L. Claus, Matt E. Pokross, Stephen R. Johnson |
3D Matched Pairs: Integrating Ligand- and Structure-Based Knowledge for Ligand Design and Receptor Annotation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 53(7), pp. 1576-1588, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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25 | Akira Shiraishi, Satoshi Niijima, J. B. Brown, Masahiko Nakatsui, Yasushi Okuno |
Chemical Genomics Approach for GPCR-Ligand Interaction Prediction and Extraction of Ligand Binding Determinants. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 53(6), pp. 1253-1262, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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25 | Vladimir I. Chupakhin, Gilles Marcou, Igor I. Baskin, Alexandre Varnek, Didier Rognan |
Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 53(4), pp. 763-772, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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25 | Zhong-Ru Xie, Chuan-Kun Liu, Fang-Chih Hsiao, Adam Yao, Ming-Jing Hwang |
LISE: a server using ligand-interacting and site-enriched protein triangles for prediction of ligand-binding sites. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 41(Webserver-Issue), pp. 292-296, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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25 | Fan Jin, Chen Yu, Luhua Lai, Zhirong Liu |
Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 9(10), 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
25 | Ying-Ting Lin |
A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5, pp. 21, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
25 | Pratyusha Rakshit, Amit Konar, Archana Chowdhury, Eunjin Kim, Atulya K. Nagar |
Muti-objective evolutionary approach of ligand design for protein-ligand docking problem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE Congress on Evolutionary Computation ![In: Proceedings of the IEEE Congress on Evolutionary Computation, CEC 2013, Cancun, Mexico, June 20-23, 2013, pp. 237-244, 2013, IEEE, 978-1-4799-0452-5. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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