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Improving accuracy and efficiency of blind protein‐ligand docking by focusing on predicted binding sites
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/jcc.20580openalex-snapshot
Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions
inferredcites →https://doi.org/10.1002/jcc.20634openalex-snapshot
A semiempirical free energy force field with charge‐based desolvation
inferredcites →https://doi.org/10.1002/prot.10625openalex-snapshot
Recovering the true targets of specific ligands by virtual screening of the protein data bank
inferredcites →https://doi.org/10.1007/bf00124474openalex-snapshot
Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities
inferredcites →https://doi.org/10.1016/0959-440x(95)80017-4openalex-snapshot
What makes a binding site a binding site?
inferredcites →https://doi.org/10.1016/j.febslet.2006.01.074openalex-snapshot
Blind docking of drug‐sized compounds to proteins with up to a thousand residues
inferredcites →https://doi.org/10.1021/ci049853ropenalex-snapshot
Creating Artificial Binding Pocket Boundaries To Improve the Efficiency of Flexible Ligand Docking
inferredcites →https://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
inferredcites →https://doi.org/10.1038/nrm2281openalex-snapshot
Predicting protein function from sequence and structure
inferredcites →https://doi.org/10.1093/bioinformatics/bth078openalex-snapshot
Open source clustering software
inferredcites →https://doi.org/10.1093/bioinformatics/bti315openalex-snapshot
Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites
inferredcites →https://doi.org/10.1093/nar/25.17.3389openalex-snapshot
Gapped BLAST and PSI-BLAST: a new generation of protein database search programs
inferredcites →https://doi.org/10.1110/ps.0202302openalex-snapshot
Efficient docking of peptides to proteins without prior knowledge of the binding site
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