Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening
Published 2016 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening
Authors
Keywords
Crystal structure, Crystallization, Linear regression analysis, Binding analysis, Hydrogen bonding, Protein structure, Protein structure databases, Protein structure prediction
Journal
PLoS One
Volume 11, Issue 5, Pages e0155183
Publisher
Public Library of Science (PLoS)
Online
2016-05-13
DOI
10.1371/journal.pone.0155183
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Prospective performance evaluation of selected common virtual screening tools. Case study: Cyclooxygenase (COX) 1 and 2
- (2015) Teresa Kaserer et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Classification of Current Scoring Functions
- (2015) Jie Liu et al. Journal of Chemical Information and Modeling
- A Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening Tool
- (2015) David Ryan Koes et al. PLoS One
- Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design
- (2014) William J. Allen et al. Journal of Chemical Information and Modeling
- 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
- istar: A Web Platform for Large-Scale Protein-Ligand Docking
- (2014) Hongjian Li et al. PLoS One
- Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach
- (2014) Zhe Zhang et al. PLoS One
- CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys
- (2013) James B. Dunbar et al. Journal of Chemical Information and Modeling
- Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
- (2013) David Ryan Koes et al. Journal of Chemical Information and Modeling
- First identification of small-molecule inhibitors of Pontin by combining virtual screening and enzymatic assay
- (2012) Judith Elkaim et al. BIOCHEMICAL JOURNAL
- Essential considerations for using protein–ligand structures in drug discovery
- (2012) Gregory L. Warren et al. DRUG DISCOVERY TODAY
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
- (2010) Vishwesh Venkatraman et al. Journal of Chemical Information and Modeling
- Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina
- (2010) Max W. Chang et al. PLoS One
- Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
- (2009) Oliver Korb 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
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search