Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power
出版年份 2016 全文链接
标题
Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power
作者
关键词
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 18, Pages 12964-12975
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-04-07
DOI
10.1039/c6cp01555g
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- (2016) Adam Pecina et al. CHEMICAL COMMUNICATIONS
- DOCK 6: Impact of new features and current docking performance
- (2015) William J. Allen et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
- (2015) Elizabeth Yuriev et al. JOURNAL OF MOLECULAR RECOGNITION
- Beware of docking!
- (2015) Yu-Chian Chen TRENDS IN PHARMACOLOGICAL SCIENCES
- PDB-wide collection of binding data: current status of the PDBbind database
- (2014) Zhihai Liu et al. BIOINFORMATICS
- Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results
- (2014) Yan Li et al. Journal of Chemical Information and Modeling
- Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set
- (2014) Yan Li et al. Journal of Chemical Information and Modeling
- Extensive Consensus Docking Evaluation for Ligand Pose Prediction and Virtual Screening Studies
- (2014) Tiziano Tuccinardi et al. Journal of Chemical Information and Modeling
- Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility
- (2014) Sheng Tian et al. Journal of Chemical Information and Modeling
- Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set
- (2014) Huiyong Sun et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
- (2014) Sergio Ruiz-Carmona et al. PLoS Computational Biology
- Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics
- (2013) Hongtao Zhao et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Recent Progress of Molecular Docking Simulations Applied to Development of Drugs
- (2013) Linus Santana Azevedo et al. Current Bioinformatics
- Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field
- (2013) S.F. Sousa et al. CURRENT MEDICINAL CHEMISTRY
- Virtual Screening Strategies in Drug Discovery: A Critical Review
- (2013) A. Lavecchia et al. CURRENT MEDICINAL CHEMISTRY
- Automated docking for novel drug discovery
- (2013) Martiniano Bello et al. Expert Opinion on Drug Discovery
- Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Docking and Pharmacophore Searching Based on Multiple Protein Structures
- (2013) Sheng Tian et al. Journal of Chemical Information and Modeling
- CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series
- (2013) Kelly L. Damm-Ganamet et al. Journal of Chemical Information and Modeling
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Latest developments in molecular docking: 2010-2011 in review
- (2013) Elizabeth Yuriev et al. JOURNAL OF MOLECULAR RECOGNITION
- SCOPe: Structural Classification of Proteins—extended, integrating SCOP and ASTRAL data and classification of new structures
- (2013) Naomi K. Fox et al. NUCLEIC ACIDS RESEARCH
- Variability in docking success rates due to dataset preparation
- (2012) Christopher R. Corbeil et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- DEKOIS: Demanding Evaluation Kits for Objectivein SilicoScreening — A Versatile Tool for Benchmarking Docking Programs and Scoring Functions
- (2011) Simon M. Vogel et al. Journal of Chemical Information and Modeling
- Advances and Challenges in Protein-Ligand Docking
- (2010) Sheng-You Huang et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- A collaborative database and computational models for tuberculosis drug discovery
- (2010) Sean Ekins et al. Molecular BioSystems
- Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
- (2010) Sheng-You Huang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Effect of Input Differences on the Results of Docking Calculations
- (2009) Miklos Feher et al. Journal of Chemical Information and Modeling
- Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
- (2009) Jason B. Cross et al. Journal of Chemical Information and Modeling
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
- (2007) N Moitessier et al. BRITISH JOURNAL OF PHARMACOLOGY
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