Search results for "Journal of Computer-Aided Molecular Design"

Hits ?▲	Authors	Title	Venue	Year	Link
1	Darren V. S. Green, Andrew R. Leach, Martha S. Head	Computer-aided molecular design under the SWOTlight.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	David L. Mobley	Let's get honest about sampling.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Joseph R. André, Marie-Jeanne Clément, Elisabeth Adjadj, Flavio Toma, Patrick A. Curmi, Philippe Manivet	The state of the guanosine nucleotide allosterically affects the interfaces of tubulin in protofilament.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Frank K. Brown	Democratization of computational chemistry and Chem(o)informatics.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Richard D. Cramer	The inevitable QSAR renaissance.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Robert D. Clark, Marvin Waldman	Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Xavier Barril, F. Javier Luque	Molecular simulation methods in drug discovery: a prospective outlook.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Anders Poulsen, Anthony William, Stéphanie Blanchard, Angeline Lee, Harish Nagaraj, Haishan Wang, Eeling Teo, Evelyn Tan, Kee Chuan Goh, Brian Dymock	Structure-based design of oxygen-linked macrocyclic kinase inhibitors: discovery of SB1518 and SB1578, potent inhibitors of Janus kinase 2 (JAK2) and Fms-like tyrosine kinase-3 (FLT3).	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	H.-H. Wu, C.-C. Chen, C.-M. Chen	Replica exchange Monte-Carlo simulations of helix bundle membrane proteins: rotational parameters of helices.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Eric Martin, Peter Ertl, Peter Hunt, José S. Duca, Richard Lewis	Gazing into the crystal ball; the future of computer-aided drug design.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Gisbert Schneider	Designing the molecular future.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Matthias Rarey	Some thoughts on the "A" in computer-aided molecular design.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Igor V. Tetko	The perspectives of computational chemistry modeling.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Peter W. Kenny	Computation, experiment and molecular design.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Matthew Segall	Can we really do computer-aided drug design?	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Michael A. Johnston, Damien Farrell, Jens Erik Nielsen	A collaborative environment for developing and validating predictive tools for protein biophysical characteristics.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Amit Kumar Chaubey, Kshatresh Dutta Dubey, Rajendra Prasad Ojha	Stability and free energy calculation of LNA modified quadruplex: a molecular dynamics study.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Ruben Abagyan	Computational chemistry in 25 years.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Pradeep K. Naik, Manu Lopus, Ritu Aneja, Surya N. Vangapandu, Harish C. Joshi	In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: folate conjugated noscapine (Targetin).	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Jeyasigamani F. A. Selvin, Thanu R. K. Priyadarzini, Kasinadar Veluraja	Sialyldisaccharide conformations: a molecular dynamics perspective.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Federico Gago	Reflections on the past 25 years.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Parimal Kar, Volker Knecht	Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Razieh Sabet, Afshin Fassihi, Bahram Hemmateenejad, Lotfollah Saghaeie, Ramin Miri, Maryam Gholami	Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: application of QSAR methods based on the MOLMAP approach.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Peter Willett	The Journal of Computer-Aided Molecular Design: a bibliometric note.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Gijs Schaftenaar, Jacob de Vlieg	Quantum mechanical polar surface area.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Wendy A. Warr	Silver threads.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Jürgen Bajorath	Computational chemistry in pharmaceutical research: at the crossroads.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Yvonne C. Martin, Steven W. Muchmore	Frozen out: molecular modeling in the age of cryocrystallography.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Tudor I. Oprea, Olivier Taboureau, Cristian Bologa	Of possible cheminformatics futures.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Liang-Tsung Huang, M. Michael Gromiha	Real value prediction of protein folding rate change upon point mutation.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Jeff Blaney	A very short history of structure-based design: how did we get here and where do we need to go?	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Oliver Korb, Tim ten Brink, Fredrick Robin Devadoss Victor Paul Raj, Matthias Keil, Thomas E. Exner	Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Garland R. Marshall	Limiting assumptions in structure-based design: binding entropy.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Jacopo Sgrignani, Alessandra Magistrato, Matteo Dal Peraro, Alejandro J. Vila, Paolo Carloni, Roberta Pierattelli	On the active site of mononuclear B1 metallo β-lactamases: a computational study.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Anthony Nicholls	The character of molecular modeling.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Terry R. Stouch	The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Walter S. Woltosz	If we designed airplanes like we design drugs...	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Irwin D. Kuntz	Darwinian Docking.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Rand Shahin, Saja AlQtaishat, Mutasem O. Taha	Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Ajay N. Jain, Ann E. Cleves	Does your model weigh the same as a Duck?	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb	Development and validation of an improved algorithm for overlaying flexible molecules.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	John Liebeschuetz, Jana Hennemann, Tjelvar Olsson, Colin R. Groom	The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Álvaro Cortés Cabrera, Federico Gago, Antonio Morreale	A reverse combination of structure-based and ligand-based strategies for virtual screening.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Ammar Abdo, Faisal Saeed, Hentabli Hamza, Ali Ahmed, Naomie Salim	Ligand expansion in ligand-based virtual screening using relevance feedback.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Hao Xu, Wenxiao Pan, Ruoxi Wang, Dongju Zhang, Chengbu Liu	Understanding the mechanism of cellulose dissolution in 1-butyl-3-methylimidazolium chloride ionic liquid via quantum chemistry calculations and molecular dynamics simulations.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Mark A. Murcko, W. Patrick Walters	Alpha shock.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	David W. Borhani, David E. Shaw	The future of molecular dynamics simulations in drug discovery.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Deepak Lokwani, Reecha Shah, Santosh Mokale, Padma Shastry, Devanand Shinde	Development of energetic pharmacophore for the designing of 1, 2, 3, 4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Gerald M. Maggiora	Is there a future for computational chemistry in drug research?	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	G. Seddon, V. Lounnas, R. McGuire, T. van den Bergh, Robert P. Bywater, Laerte Oliveira, Gert Vriend	Drug design for ever, from hype to hope.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Terry R. Stouch	Looking forward into the next 25 years: the 25th anniversary issue of the Journal of Computer-Aided Molecular Design.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Yufeng J. Tseng, Anton J. Hopfinger, Emilio Xavier Esposito	The great descriptor melting pot: mixing descriptors for the common good of QSAR models.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Wendy A. Warr	An interview with Phil Bourne, associate director of the RCSB protein data bank.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Robert C. Glen	Computational chemistry and cheminformatics: an essay on the future.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Natalie B. Vinh, Jamie S. Simpson, Peter J. Scammells, David K. Chalmers	Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Jenn-Huei Lii, Ching-Han Hu	An improved theoretical approach to the empirical corrections of density functional theory.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Andrew J. Heim, Zhijun Li	Developing a high-quality scoring function for membrane protein structures based on specific inter-residue interactions.	Journal of Computer-Aided Molecular Design	2012	DBLP DOI BibTeX RDF
1	Victor M. Anisimov, Arturas Ziemys, Smitha Kizhake, Ziyan Yuan, Amarnath Natarajan, Claudio N. Cavasotto	Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Aldo Segura-Cabrera, Virgilio Bocanegra-García, Cristian Lizarazo-Ortega, Xianwu Guo, José Correa-Basurto, Mario A. Rodríguez-Pérez	A computational analysis of the binding mode of closantel as inhibitor of the Onchocerca volvulus chitinase: insights on macrofilaricidal drug design.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Chin Yee Liew, Yen Ching Lim, Chun Wei Yap	Mixed learning algorithms and features ensemble in hepatotoxicity prediction.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Feifei Tian, Yonggang Lv, Peng Zhou, Li Yang	Characterization of PDZ domain-peptide interactions using an integrated protocol of QM/MM, PB/SA, and CFEA analyses.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Tsung-Ying Tsai, Kai-Wei Chang, Calvin Yu-Chian Chen	iScreen: world's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Matthew B. Stocks, Stephen D. Laycock, S. Hayward	Applying forces to elastic network models of large biomolecules using a haptic feedback device.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Dragos Horvath, Christian J. Koch, Gisbert Schneider, Gilles Marcou, Alexandre Varnek	Local neighborhood behavior in a combinatorial library context.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Samuel Genheden	MM/GBSA and LIE estimates of host-guest affinities: dependence on charges and solvation model.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Hwangseo Park, Jeong-Yi Jeon, Song Yi Kim, Dae Gwin Jeong, Seong Eon Ryu	Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screening.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Richard D. Cramer	Rethinking 3D-QSAR.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	M. Alcolea Palafox, P. Posada-Moreno, A. L. Villarino-Marín, C. Martinez-Rincon, I. Ortuño-Soriano, I. Zaragoza-García	DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Gerald M. Maggiora	The reductionist paradox: are the laws of chemistry and physics sufficient for the discovery of new drugs?	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Natalja Fjodorova, Marjana Novic, Alessandra Roncaglioni, Emilio Benfenati	Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Katarzyna Prymula, Tomasz Jadczyk, Irena Roterman	Catalytic residues in hydrolases: analysis of methods designed for ligand-binding site prediction.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Cynthia Rachel Selassie	Obituary: Corwin H. Hansch.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Yvonne C. Martin	Why you should read Dr. Cramer's perspective.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Paolo Tosco, Thomas Balle, Fereshteh Shiri	Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Corwin Hansch	The advent and evolution of QSAR at Pomona College.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Despina Laimou, Eliada Lazoura, Anastassios N. Troganis, Minos-Timotheos Matsoukas, Spyros N. Deraos, Maria Katsara, John Matsoukas, Vasso Apostolopoulos, Theodore V. Tselios	Conformational studies of immunodominant myelin basic protein 1-11 analogues using NMR and molecular modeling.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Cátia Teixeira, José R. B. Gomes, Thierry Couesnon, Paula Gomes	Molecular docking and 3D-quantitative structure activity relationship analyses of peptidyl vinyl sulfones: Plasmodium Falciparum cysteine proteases inhibitors.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Dusica Vidovic, Yuli Xie, Alison Rinderspacher, Shi-Xian Deng, Donald W. Landry, Caty Chung, Deborah H. Smith, Lutz Tautz, Stephan C. Schürer	Distinct functional and conformational states of the human lymphoid tyrosine phosphatase catalytic domain can be targeted by choice of the inhibitor chemotype.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Ge-Fei Hao, Ying Tan, Ning-Xi Yu, Guang-Fu Yang	Structure-activity relationships of diphenyl-ether as protoporphyrinogen oxidase inhibitors: insights from computational simulations.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony Williams, Valery Tkachenko, Igor V. Tetko	Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Carlos Gueto-Tettay, Juan Carlos Drosos, Ricardo Vivas-Reyes	Quantum mechanics study of the hydroxyethylamines-BACE-1 active site interaction energies.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Laura Guasch, Esther Sala, Cristina Valls, Mayte Blay, Miquel Mulero, Lluís Arola, Gerard Pujadas, Santiago Garcia-Vallvé	Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activity.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Shiri Stempler, Michal Levy-Sakin, Anat Frydman-Marom, Yaniv Amir, Roni Scherzer-Attali, Ludmila Buzhansky, Ehud Gazit, Hanoch Senderowitz	Quantitative structure-activity relationship analysis of β-amyloid aggregation inhibitors.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Tim Potter, Richard Lewis, Tim Luker, Roger Bonnert, Michael A. Bernstein, Timothy N. Birkinshaw, Stephen Thom, Mark Wenlock, Stuart Paine	In silico prediction of acyl glucuronide reactivity.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Yuanhua Cheng, Wei Cui, Quan Chen, Chen-Ho Tung, Mingjuan Ji, Fushi Zhang	The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	M. Stuart Armstrong, Paul W. Finn, Garrett M. Morris, W. Graham Richards	Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Scott J. Pollack, Kim S. Beyer, Christopher Lock, Ilka Müller, David Sheppard, Mike Lipkin, David Hardick, Peter Blurton, Philip M. Leonard, Paul A. Hubbard, Daniel Todd, Christine M. Richardson, Thomas Ahrens, Manuel Baader, Doris Hafenbradl, Kate Hilyard, Roland W. Bürli	A comparative study of fragment screening methods on the p38α kinase: new methods, new insights.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Norman L. Allinger	Understanding molecular structure from molecular mechanics.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Ivano Eberini, Simona Daniele, Chiara Parravicini, Cristina Sensi, Maria L. Trincavelli, Claudia Martini, Maria P. Abbracchio	In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Cristina Rodríguez-Rodríguez, Albert Rimola, Jorge Alí-Torres, Mariona Sodupe, Pilar González-Duarte	In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Lorenz C. Blum, Ruud van Deursen, Jean-Louis Reymond	Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Alpeshkumar K. Malde, Alan E. Mark	Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Yvonne C. Martin	Remembrances of Corwin Hansch.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Eunkyoung Jung, Seung-Hoon Choi, Nam-Kyung Lee, Sang-Kee Kang, Yun-Jaie Choi, Jae-Min Shin, Kihang Choi, Dong Hyun Jung	Machine learning study for the prediction of transdermal peptide.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Markus A. Lill, Matthew L. Danielson	Computer-aided drug design platform using PyMOL.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Wendy A. Warr	Protein Data Bank Japan (PDBj): an interview with Haruki Nakamura of Osaka University.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Xuefei Liu, Guoqiang Dong, Jue Zhang, Jingjing Qi, Canhui Zheng, Youjun Zhou, Ju Zhu, Chunquan Sheng, Jiaguo Lü	Discovery of novel human acrosin inhibitors by virtual screening.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Sergey A. Samsonov, Joan Teyra, M. Teresa Pisabarro	Docking glycosaminoglycans to proteins: analysis of solvent inclusion.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	C. Santiago, K. Nguyen, M. Schapira	Druggability of methyl-lysine binding sites.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF
1	Daniel Mucs, Richard A. Bryce, Pascal Bonnet	Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors.	Journal of Computer-Aided Molecular Design	2011	DBLP DOI BibTeX RDF

Publications at "Journal of Computer-Aided Molecular Design"( http://dblp.L3S.de/Venues/Journal_of_Computer-Aided_Molecular_Design )