|
|
Venues (Conferences, Journals, ...)
|
|
GrowBag graphs for keyword ? (Num. hits/coverage)
Group by:
The graphs summarize 21 occurrences of 18 keywords
|
|
|
Results
Found 70 publication records. Showing 70 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
75 | Emrah Atilgan, Jianjun Hu |
Efficient protein-ligand docking using sustainable evolutionary algorithm. |
GECCO |
2010 |
DBLP DOI BibTeX RDF |
HFC, autodock, protein docking, sustainable evolutionary algorithms, genetic algorithm |
69 | Li 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. |
HPCC |
2008 |
DBLP DOI BibTeX RDF |
|
69 | Rafael Ördög, Vince Grolmusz |
Evaluating Genetic Algorithms in Protein-Ligand Docking. |
ISBRA |
2008 |
DBLP DOI BibTeX RDF |
|
51 | Thomas Gaillard |
Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark. |
J. Chem. Inf. Model. |
2018 |
DBLP DOI BibTeX RDF |
|
51 | Mathew R. Koebel, Grant Schmadeke, Richard G. Posner, Suman Sirimulla |
AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina. |
J. Cheminformatics |
2016 |
DBLP DOI BibTeX RDF |
|
46 | Giovanni Cincilla, David Vidal, Miquel Pons |
An improved scoring function for suboptimal polar ligand complexes. |
J. Comput. Aided Mol. Des. |
2009 |
DBLP DOI BibTeX RDF |
Solvation, Drug design, Virtual screening, Docking, Scoring function |
46 | Bo-Fu Liu, Hung-Ming Chen, Hui-Ling Huang, Shiow-Fen Hwang, Shinn-Ying Ho |
Flexible protein-ligand docking using particle swarm optimization. |
Congress on Evolutionary Computation |
2005 |
DBLP DOI BibTeX RDF |
|
29 | Imre Pechan, Béla Fehér |
Molecular Docking on FPGA and GPU Platforms. |
FPL |
2011 |
DBLP DOI BibTeX RDF |
FPGA vs, AutoDock, bioinformatics, GPU, hardware acceleration, molecular docking |
29 | Xiaohui Wei, Lixian Xi, Hongliang Li, Haibin Wang, Wilfred W. Li, Jingyuan Ren |
A Case of Meta-scheduling for Biological Researches in Cloud Environment. |
FCST |
2010 |
DBLP DOI BibTeX RDF |
CSF4, OPAL, Autodock, Cloud computing |
29 | Karina S. Machado, Evelyn K. Schroeder, Duncan D. Ruiz, Ana Wink, Osmar Norberto de Souza |
Extracting Information from Flexible Receptor-Flexible Ligand Docking Experiments. |
BSB |
2008 |
DBLP DOI BibTeX RDF |
AutoDock, Data Mining, Molecular Docking, Molecular Dynamics Simulation, WEKA |
26 | Junkai Ji, Jin Zhou, Zhangfan Yang, Qiuzhen Lin, Carlos A. Coello Coello |
AutoDock Koto: A Gradient Boosting Differential Evolution for Molecular Docking. |
IEEE Trans. Evol. Comput. |
2023 |
DBLP DOI BibTeX RDF |
|
26 | Xingxing 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. |
IEEE ACM Trans. Comput. Biol. Bioinform. |
2023 |
DBLP DOI BibTeX RDF |
|
26 | Ji 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. |
J. Chem. Inf. Model. |
2023 |
DBLP DOI BibTeX RDF |
|
26 | Gabin Schieffer, Ivy Bo Peng |
Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores. |
Euro-Par |
2023 |
DBLP DOI BibTeX RDF |
|
26 | Zhangfan Yang, Kun Cao, Junkai Ji, Zexuan Zhu, Jianqiang Li 0001 |
Adopting Autodock Koto for Virtual Screening of COVID-19. |
ICIC (3) |
2023 |
DBLP DOI BibTeX RDF |
|
26 | T. 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. |
J. Comput. Chem. |
2022 |
DBLP DOI BibTeX RDF |
|
26 | Leonardo 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. |
Parallel Comput. |
2022 |
DBLP DOI BibTeX RDF |
|
26 | Jérôme Eberhardt, Diogo Santos-Martins, Andreas F. Tillack, Stefano Forli |
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. |
J. Chem. Inf. Model. |
2021 |
DBLP DOI BibTeX RDF |
|
26 | Zhuoran 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. |
Mob. Networks Appl. |
2021 |
DBLP DOI BibTeX RDF |
|
26 | Maria Kadukova, Vladimir Chupin, Sergei Grudinin |
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4. |
J. Comput. Aided Mol. Des. |
2020 |
DBLP DOI BibTeX RDF |
|
26 | Enade 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. |
J. Chem. Inf. Model. |
2020 |
DBLP DOI BibTeX RDF |
|
26 | Nguyen 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. |
J. Chem. Inf. Model. |
2020 |
DBLP DOI BibTeX RDF |
|
26 | Yuri 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. |
Bioinform. |
2020 |
DBLP DOI BibTeX RDF |
|
26 | Leonardo Solis-Vasquez, Diogo Santos-Martins, Andreas Koch 0001, Stefano Forli |
Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking. |
PDP |
2020 |
DBLP DOI BibTeX RDF |
|
26 | D. 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. |
MIPRO |
2020 |
DBLP DOI BibTeX RDF |
|
26 | Yuqi Zhang, Stefano Forli, Anna Omelchenko, Michel F. Sanner |
AutoGridFR: Improvements on AutoDock Affinity Maps and Associated Software Tools. |
J. Comput. Chem. |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Lea 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. |
J. Comput. Aided Mol. Des. |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Diogo 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. |
J. Comput. Aided Mol. Des. |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Yuqi Zhang, Michel F. Sanner |
AutoDock CrankPep: combining folding and docking to predict protein-peptide complexes. |
Bioinform. |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Juan 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. |
Bioinform. |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Zhuoran 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. |
SimuTools |
2019 |
DBLP DOI BibTeX RDF |
|
26 | Maria 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. |
J. Comput. Aided Mol. Des. |
2018 |
DBLP DOI BibTeX RDF |
|
26 | Hojjat Rakhshani, Lhassane Idoumghar, Julien Lepagnot, Mathieu Brévilliers, Edward C. Keedwell |
Automatic hyperparameter selection in Autodock. |
CoRR |
2018 |
DBLP BibTeX RDF |
|
26 | G. W. McElfresh, Christos Deligkaris |
A vibrational entropy term for DNA docking with autodock. |
Comput. Biol. Chem. |
2018 |
DBLP DOI BibTeX RDF |
|
26 | A. Samdani, Umashankar Vetrivel |
POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening. |
Comput. Biol. Chem. |
2018 |
DBLP DOI BibTeX RDF |
|
26 | Mark S. Hisle, Maxwell S. Meier, David M. Toth |
Accelerating AutoDock Vina with Containerization. |
PEARC |
2018 |
DBLP DOI BibTeX RDF |
|
26 | Hojjat Rakhshani, Lhassane Idoumghar, Julien Lepagnot, Mathieu Brévilliers, Edward C. Keedwell |
Automatic hyperparameter selection in Autodock. |
BIBM |
2018 |
DBLP DOI BibTeX RDF |
|
26 | Elena Di Muzio, Daniele Toti, Fabio Polticelli |
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina. |
J. Comput. Aided Mol. Des. |
2017 |
DBLP DOI BibTeX RDF |
|
26 | Carlos García-Pérez, Rafael Peláez, Roberto Therón, José Luis López-Pérez |
JADOPPT: java based AutoDock preparing and processing tool. |
Bioinform. |
2017 |
DBLP DOI BibTeX RDF |
|
26 | Génesis Varela-Salinas, Carlos Armando García-Pérez, Rafael Peláez, Adolfo J. Rodríguez |
Visual Clustering Approach for Docking Results from Vina and AutoDock. |
HAIS |
2017 |
DBLP DOI BibTeX RDF |
|
26 | Mohammad Mahdi Jaghoori, Boris Bleijlevens, Sílvia Delgado Olabarriaga |
1001 Ways to run AutoDock Vina for virtual screening. |
J. Comput. Aided Mol. Des. |
2016 |
DBLP DOI BibTeX RDF |
|
26 | Lang Yu, Zhongzhi Luan, Xiangzheng Sun, Zhe Wang, Hailong Yang |
VinaSC: Scalable Autodock Vina with fine-grained scheduling on heterogeneous platform. |
BIBM |
2016 |
DBLP DOI BibTeX RDF |
|
26 | Robert Rentzsch, Bernhard Y. Renard |
Docking small peptides remains a great challenge: an assessment using AutoDock Vina. |
Briefings Bioinform. |
2015 |
DBLP DOI BibTeX RDF |
|
26 | Alexander 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. |
J. Comput. Aided Mol. Des. |
2014 |
DBLP DOI BibTeX RDF |
|
26 | Diogo Santos-Martins, Stefano Forli, Maria João Ramos, Arthur J. Olson |
AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins. |
J. Chem. Inf. Model. |
2014 |
DBLP DOI BibTeX RDF |
|
26 | Muhammad 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. |
CoRR |
2013 |
DBLP BibTeX RDF |
|
26 | Stephanus 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. |
IEEE ACM Trans. Comput. Biol. Bioinform. |
2012 |
DBLP DOI BibTeX RDF |
|
26 | Stephanus 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". |
IEEE ACM Trans. Comput. Biol. Bioinform. |
2012 |
DBLP DOI BibTeX RDF |
|
26 | M. Naresh Babu, R. Bhramaramba, Allam Appa Rao |
Structure based drug design studies on urokinase plasminogen activator inhibitors using AutoDock. |
CCSEIT |
2012 |
DBLP DOI BibTeX RDF |
|
26 | Andrew P. Norgan, Paul K. Coffman, Jean-Pierre A. Kocher, David J. Katzmann, Carlos P. Sosa |
Multilevel Parallelization of AutoDock 4.2. |
J. Cheminformatics |
2011 |
DBLP DOI BibTeX RDF |
|
26 | Oleg Trott, Arthur J. Olson |
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. |
J. Comput. Chem. |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Hamed 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. |
J. Comput. Aided Mol. Des. |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Daniel Seeliger, Bert L. de Groot |
Ligand docking and binding site analysis with PyMOL and Autodock/Vina. |
J. Comput. Aided Mol. Des. |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Giulio 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. |
J. Comput. Aided Mol. Des. |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Nikita D. Prakhov, Alexander L. Chernorudskiy, Murat R. Gainullin |
VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters. |
Bioinform. |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Sarnath Kannan, Raghavendra Ganji |
Porting Autodock to CUDA. |
IEEE Congress on Evolutionary Computation |
2010 |
DBLP DOI BibTeX RDF |
|
26 | Rohit 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. |
J. Chem. Inf. Model. |
2009 |
DBLP DOI BibTeX RDF |
|
26 | Janos Nadas, Chenglong Li, Peng George Wang |
Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex Using AMBER and AUTODOCK. |
J. Chem. Inf. Model. |
2009 |
DBLP DOI BibTeX RDF |
|
26 | Zsolt Bikádi, Eszter Hazai |
Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock. |
J. Cheminformatics |
2009 |
DBLP DOI BibTeX RDF |
|
26 | Shuxing Zhang, Kamal Kumar 0002, Xiaohui Jiang, Anders Wallqvist, Jaques Reifman |
DOVIS: an implementation for high-throughput virtual screening using AutoDock. |
BMC Bioinform. |
2008 |
DBLP DOI BibTeX RDF |
|
26 | Patrick A. Holt, Jonathan B. Chaires, John O. Trent |
Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex. |
J. Chem. Inf. Model. |
2008 |
DBLP DOI BibTeX RDF |
|
26 | Stefano Forli, Maurizio Botta |
Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems. |
J. Chem. Inf. Model. |
2007 |
DBLP DOI BibTeX RDF |
|
26 | Montserrat 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. |
Bioinform. |
2006 |
DBLP DOI BibTeX RDF |
|
26 | Oleksandr V. Buzko, Anthony C. Bishop, Kevan M. Shokat |
Modified AutoDock for accurate docking of protein kinase inhibitors. |
J. Comput. Aided Mol. Des. |
2002 |
DBLP DOI BibTeX RDF |
|
26 | Michael Thormann, Hans-Jörg Hofmann |
Docking experiences, AutoDock - a Case Study. |
German Conference on Bioinformatics |
1998 |
DBLP BibTeX RDF |
|
26 | Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson |
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4. |
J. Comput. Aided Mol. Des. |
1996 |
DBLP DOI BibTeX RDF |
|
23 | Hongwei Zhou, Wai-Ping Lai, Zhiqiang Zhang, Wai-Kee Li, Hon-Yeung Cheung |
Computational study on the molecular inclusion of andrographolide by cyclodextrin. |
J. Comput. Aided Mol. Des. |
2009 |
DBLP DOI BibTeX RDF |
Andrographolide, Cyclodextrin, Inclusion complex, Hydrogen bond |
23 | Zhaohui Ding, Xiaohui Wei, Yuan Luo, Da Ma, Peter W. Arzberger, Wilfred W. Li |
Customized Plug-in Modules in Metascheduler CSF4 for Life Sciences Applications. |
New Gener. Comput. |
2007 |
DBLP DOI BibTeX RDF |
Metascheduling, Scheduler Plug-in, Co-Allocation, Life Sciences, MPICH-G2 |
23 | Andrei Oliveira da Silva, Osmar Norberto de Souza |
A framework for result handling in bioinformatics: an application to computer assisted drug design. |
SAC |
2005 |
DBLP DOI BibTeX RDF |
computer assisted drug design, frameworks, bioinformatics, molecular docking, high-throughput computing |
23 | 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. |
IPDPS |
2004 |
DBLP DOI BibTeX RDF |
Force field based methods, docking accuracy, desktop grid computing |
Displaying result #1 - #70 of 70 (100 per page; Change: )
|
|