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Publication years (Num. hits)
1996-2009 (19) 2010-2014 (16) 2015-2019 (20) 2020-2023 (15)
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article(49) inproceedings(21)
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Found 70 publication records. Showing 70 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
75Emrah Atilgan, Jianjun Hu Efficient protein-ligand docking using sustainable evolutionary algorithm. Search on Bibsonomy GECCO The full citation details ... 2010 DBLP  DOI  BibTeX  RDF HFC, autodock, protein docking, sustainable evolutionary algorithms, genetic algorithm
69Li Wang 0009, Zi-jun Weng, Yi Liang, Yong Wang, Zheng Zhang, Ruihua Di Design and Implementation of Parallel Lamarckian Genetic Algorithm for Automated Docking of Molecules. Search on Bibsonomy HPCC The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
69Rafael Ördög, Vince Grolmusz Evaluating Genetic Algorithms in Protein-Ligand Docking. Search on Bibsonomy ISBRA The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
51Thomas Gaillard Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
51Mathew R. Koebel, Grant Schmadeke, Richard G. Posner, Suman Sirimulla AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina. Search on Bibsonomy J. Cheminformatics The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
46Giovanni Cincilla, David Vidal, Miquel Pons An improved scoring function for suboptimal polar ligand complexes. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Solvation, Drug design, Virtual screening, Docking, Scoring function
46Bo-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 Congress on Evolutionary Computation The full citation details ... 2005 DBLP  DOI  BibTeX  RDF
29Imre Pechan, Béla Fehér Molecular Docking on FPGA and GPU Platforms. Search on Bibsonomy FPL The full citation details ... 2011 DBLP  DOI  BibTeX  RDF FPGA vs, AutoDock, bioinformatics, GPU, hardware acceleration, molecular docking
29Xiaohui Wei, Lixian Xi, Hongliang Li, Haibin Wang, Wilfred W. Li, Jingyuan Ren A Case of Meta-scheduling for Biological Researches in Cloud Environment. Search on Bibsonomy FCST The full citation details ... 2010 DBLP  DOI  BibTeX  RDF CSF4, OPAL, Autodock, Cloud computing
29Karina 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 BSB The full citation details ... 2008 DBLP  DOI  BibTeX  RDF AutoDock, Data Mining, Molecular Docking, Molecular Dynamics Simulation, WEKA
26Junkai Ji, Jin Zhou, Zhangfan Yang, Qiuzhen Lin, Carlos A. Coello Coello AutoDock Koto: A Gradient Boosting Differential Evolution for Molecular Docking. Search on Bibsonomy IEEE Trans. Evol. Comput. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
26Xingxing Zhou, Ming Ling, Qingde Lin, Shidi Tang, Jiansheng Wu, Haifeng Hu 0004 Effectiveness Analysis of Multiple Initial States Simulated Annealing Algorithm, a Case Study on the Molecular Docking Tool AutoDock Vina. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
26Ji Ding, Shidi Tang, Zheming Mei, Lingyue Wang, Qinqin Huang, Haifeng Hu 0004, Ming Ling, Jiansheng Wu Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
26Gabin Schieffer, Ivy Bo Peng Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores. Search on Bibsonomy Euro-Par The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
26Zhangfan Yang, Kun Cao, Junkai Ji, Zexuan Zhu, Jianqiang Li 0001 Adopting Autodock Koto for Virtual Screening of COVID-19. Search on Bibsonomy ICIC (3) The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
26T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Thien Y. Vu, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, Son Tung Ngo 0002 Improving ligand-ranking of AutoDock Vina by changing the empirical parameters. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
26Leonardo Solis-Vasquez, Andreas F. Tillack, Diogo Santos-Martins, Andreas Koch 0001, Scott LeGrand, Stefano Forli Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking. Search on Bibsonomy Parallel Comput. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
26Jérôme Eberhardt, Diogo Santos-Martins, Andreas F. Tillack, Stefano Forli AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
26Zhuoran Liu 0002, Dingde Jiang, Changsheng Zhang 0001, Haitong Zhao, Qidong Zhao, Bin Zhang 0001 A Novel Fireworks Algorithm for the Protein-Ligand Docking on the AutoDock. Search on Bibsonomy Mob. Networks Appl. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
26Maria Kadukova, Vladimir Chupin, Sergei Grudinin Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26Enade P. Istyastono, Muhammad Radifar, Nunung Yuniarti, Vivitri D. Prasasty, Sudi Mungkasi PyPLIF HIPPOS: A Molecular Interaction Fingerprinting Tool for Docking Results of AutoDock Vina and PLANTS. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26Nguyen Thanh Nguyen, Trung Hai Nguyen, T. Ngoc Han Pham, Nguyen Truong Huy, Mai Van Bay, Minh Quan Pham, Pham Cam Nam, Van V. Vu, Son Tung Ngo 0002 Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26Yuri Kochnev, Erich Hellemann, Kevin C. Cassidy, Jacob D. Durrant, Yann Ponty Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser. Search on Bibsonomy Bioinform. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas Koch 0001, Stefano Forli Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking. Search on Bibsonomy PDP The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26D. Tomic, Davor Davidovic, V. Jandel, J. Mesaric, Karolj Skala, Tomislav Lipic Drug screening with the Autodock Vina on a set of kinases without experimentally established structures. Search on Bibsonomy MIPRO The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
26Yuqi Zhang, Stefano Forli, Anna Omelchenko, Michel F. Sanner AutoGridFR: Improvements on AutoDock Affinity Maps and Associated Software Tools. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Lea El-Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérôme Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch 0001, Stefano Forli, David L. Mobley Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Diogo Santos-Martins, Jérôme Eberhardt, Giulia Bianco, Leonardo Solis-Vasquez, Francesca Alessandra Ambrosio, Andreas Koch 0001, Stefano Forli D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Yuqi Zhang, Michel F. Sanner AutoDock CrankPep: combining folding and docking to predict protein-peptide complexes. Search on Bibsonomy Bioinform. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Juan Pablo Arcon, Carlos P. Modenutti, Demian Avendaño, Elias D. López, Lucas A. Defelipe, Francesca Alessandra Ambrosio, Adrian Gustavo Turjanski, Stefano Forli, Marcelo A. Marti AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions. Search on Bibsonomy Bioinform. The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Zhuoran Liu 0002, Changsheng Zhang 0001, Qidong Zhao, Bin Zhang 0001, Wenjuan Sun Comparative Study of Evolutionary Algorithms for Protein-Ligand Docking Problem on the AutoDock. Search on Bibsonomy SimuTools The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
26Maria Kadukova, Sergei Grudinin Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
26Hojjat Rakhshani, Lhassane Idoumghar, Julien Lepagnot, Mathieu Brévilliers, Edward C. Keedwell Automatic hyperparameter selection in Autodock. Search on Bibsonomy CoRR The full citation details ... 2018 DBLP  BibTeX  RDF
26G. W. McElfresh, Christos Deligkaris A vibrational entropy term for DNA docking with autodock. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
26A. Samdani, Umashankar Vetrivel POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening. Search on Bibsonomy Comput. Biol. Chem. The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
26Mark S. Hisle, Maxwell S. Meier, David M. Toth Accelerating AutoDock Vina with Containerization. Search on Bibsonomy PEARC The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
26Hojjat Rakhshani, Lhassane Idoumghar, Julien Lepagnot, Mathieu Brévilliers, Edward C. Keedwell Automatic hyperparameter selection in Autodock. Search on Bibsonomy BIBM The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
26Elena Di Muzio, Daniele Toti, Fabio Polticelli DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
26Carlos García-Pérez, Rafael Peláez, Roberto Therón, José Luis López-Pérez JADOPPT: java based AutoDock preparing and processing tool. Search on Bibsonomy Bioinform. The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
26Génesis Varela-Salinas, Carlos Armando García-Pérez, Rafael Peláez, Adolfo J. Rodríguez Visual Clustering Approach for Docking Results from Vina and AutoDock. Search on Bibsonomy HAIS The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
26Mohammad Mahdi Jaghoori, Boris Bleijlevens, Sílvia Delgado Olabarriaga 1001 Ways to run AutoDock Vina for virtual screening. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
26Lang Yu, Zhongzhi Luan, Xiangzheng Sun, Zhe Wang, Hailong Yang VinaSC: Scalable Autodock Vina with fine-grained scheduling on heterogeneous platform. Search on Bibsonomy BIBM The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
26Robert Rentzsch, Bernhard Y. Renard Docking small peptides remains a great challenge: an assessment using AutoDock Vina. Search on Bibsonomy Briefings Bioinform. The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
26Alexander L. Perryman, Daniel N. Santiago, Stefano Forli, Diogo Santos-Martins, Arthur J. Olson Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
26Diogo Santos-Martins, Stefano Forli, Maria João Ramos, Arthur J. Olson AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
26Muhammad Hilman, Heru Suhartanto, Arry Yanuar Performance Analysis of Embarassingly Parallel Application on Cluster Computer Environment: A Case Study of Virtual Screening with Autodock Vina 1.1 on Hastinapura Cluster. Search on Bibsonomy CoRR The full citation details ... 2013 DBLP  BibTeX  RDF
26Stephanus Daniel Handoko, Xuchang Ouyang, Chinh Tran To Su, Chee Keong Kwoh 0001, Yew-Soon Ong QuickVina: Accelerating AutoDock Vina Using Gradient-Based Heuristics for Global Optimization. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2012 DBLP  DOI  BibTeX  RDF
26Stephanus Daniel Handoko, Xuchang Ouyang, Chinh Tran To Su, Chee Keong Kwoh 0001, Yew-Soon Ong Erratum to "QuickVina: Accelerating AutoDock Vina Using Gradient-Based Heuristics for Global Optimization". Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2012 DBLP  DOI  BibTeX  RDF
26M. Naresh Babu, R. Bhramaramba, Allam Appa Rao Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock. Search on Bibsonomy CCSEIT The full citation details ... 2012 DBLP  DOI  BibTeX  RDF
26Andrew P. Norgan, Paul K. Coffman, Jean-Pierre A. Kocher, David J. Katzmann, Carlos P. Sosa Multilevel Parallelization of AutoDock 4.2. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
26Oleg Trott, Arthur J. Olson AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Search on Bibsonomy J. Comput. Chem. The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Hamed I. Ali, Takayuki Fujita, Eiichi Akaho, Tomohisa Nagamatsu A comparative study of AutoDock and PMF scoring performances, and SAR of 2-substituted pyrazolotriazolopyrimidines and 4-substituted pyrazolopyrimidines as potent xanthine oxidase inhibitors. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Daniel Seeliger, Bert L. de Groot Ligand docking and binding site analysis with PyMOL and Autodock/Vina. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, Bernard Testa Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Nikita D. Prakhov, Alexander L. Chernorudskiy, Murat R. Gainullin VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters. Search on Bibsonomy Bioinform. The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Sarnath Kannan, Raghavendra Ganji Porting Autodock to CUDA. Search on Bibsonomy IEEE Congress on Evolutionary Computation The full citation details ... 2010 DBLP  DOI  BibTeX  RDF
26Rohit Tiwari, Kiran Mahasenan, Ryan E. Pavlovicz, Chenglong Li, Werner Tjarks Carborane Clusters in Computational Drug Design: A Comparative Docking Evaluation Using AutoDock, FlexX, Glide, and Surflex. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
26Janos Nadas, Chenglong Li, Peng George Wang Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex Using AMBER and AUTODOCK. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
26Zsolt Bikádi, Eszter Hazai Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock. Search on Bibsonomy J. Cheminformatics The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
26Shuxing Zhang, Kamal Kumar 0002, Xiaohui Jiang, Anders Wallqvist, Jaques Reifman DOVIS: an implementation for high-throughput virtual screening using AutoDock. Search on Bibsonomy BMC Bioinform. The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
26Patrick A. Holt, Jonathan B. Chaires, John O. Trent Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
26Stefano Forli, Maurizio Botta Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF
26Montserrat Vaqué, Anna Arola, Carles Aliagas, Gerard Pujadas BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock. Search on Bibsonomy Bioinform. The full citation details ... 2006 DBLP  DOI  BibTeX  RDF
26Oleksandr V. Buzko, Anthony C. Bishop, Kevan M. Shokat Modified AutoDock for accurate docking of protein kinase inhibitors. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2002 DBLP  DOI  BibTeX  RDF
26Michael Thormann, Hans-Jörg Hofmann Docking experiences, AutoDock - a Case Study. Search on Bibsonomy German Conference on Bioinformatics The full citation details ... 1998 DBLP  BibTeX  RDF
26Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 1996 DBLP  DOI  BibTeX  RDF
23Hongwei Zhou, Wai-Ping Lai, Zhiqiang Zhang, Wai-Kee Li, Hon-Yeung Cheung Computational study on the molecular inclusion of andrographolide by cyclodextrin. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2009 DBLP  DOI  BibTeX  RDF Andrographolide, Cyclodextrin, Inclusion complex, Hydrogen bond
23Zhaohui Ding, Xiaohui Wei, Yuan Luo, Da Ma, Peter W. Arzberger, Wilfred W. Li Customized Plug-in Modules in Metascheduler CSF4 for Life Sciences Applications. Search on Bibsonomy New Gener. Comput. The full citation details ... 2007 DBLP  DOI  BibTeX  RDF Metascheduling, Scheduler Plug-in, Co-Allocation, Life Sciences, MPICH-G2
23Andrei Oliveira da Silva, Osmar Norberto de Souza A framework for result handling in bioinformatics: an application to computer assisted drug design. Search on Bibsonomy SAC The full citation details ... 2005 DBLP  DOI  BibTeX  RDF computer assisted drug design, frameworks, bioinformatics, molecular docking, high-throughput computing
23Michela 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 IPDPS The full citation details ... 2004 DBLP  DOI  BibTeX  RDF Force field based methods, docking accuracy, desktop grid computing
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