Original paper

On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors

Volume: 46, Issue: 1, Pages: 401 - 415
Published: Dec 14, 2005
Abstract
Four of the most well-known, commercially available docking programs, FlexX, GOLD, GLIDE, and ICM, have been examined for their ligand-docking and virtual-screening capabilities. The relative performance of the programs in reproducing the native ligand conformation from starting SMILES strings for 164 high-resolution protein-ligand complexes is presented and compared. Applying only the native scoring functions, the latest versions of these four...
Paper Details
Title
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors
Published Date
Dec 14, 2005
Volume
46
Issue
1
Pages
401 - 415
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