Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation. Read more about Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation.
Recommendations for evaluation of computational methods. Read more about Recommendations for evaluation of computational methods.
Customizing scoring functions for docking. Read more about Customizing scoring functions for docking.
Bias, reporting, and sharing: computational evaluations of docking methods. Read more about Bias, reporting, and sharing: computational evaluations of docking methods.
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery. Read more about Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery.
Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search. Read more about Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search.
Modified AutoDock for accurate docking of protein kinase inhibitors. Read more about Modified AutoDock for accurate docking of protein kinase inhibitors.
Molecular modeling of the intestinal bile acid carrier: a comparative molecular field analysis study. Read more about Molecular modeling of the intestinal bile acid carrier: a comparative molecular field analysis study.
Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities. Read more about Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities.
