Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
J. Chem. Inf. Model., 2024
DockOpt: A Tool for Automatic Optimization of Docking Models.
J. Chem. Inf. Model., 2024
Large-Scale Docking in the Cloud.
J. Chem. Inf. Model., May, 2023
ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery.
J. Chem. Inf. Model., February, 2023
Property-Unmatched Decoys in Docking Benchmarks.
J. Chem. Inf. Model., 2021
Ligand Strain Energy in Large Library Docking.
J. Chem. Inf. Model., 2021
ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery.
J. Chem. Inf. Model., 2020
Predicted Biological Activity of Purchasable Chemical Space.
J. Chem. Inf. Model., 2018
ZINC 15 - Ligand Discovery for Everyone.
J. Chem. Inf. Model., 2015
ZINC: A Free Tool to Discover Chemistry for Biology.
J. Chem. Inf. Model., 2012
Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions.
J. Chem. Inf. Model., 2011
Molecular Docking Screens Using Comparative Models of Proteins.
J. Chem. Inf. Model., 2009
Quantifying the Relationships among Drug Classes.
J. Chem. Inf. Model., 2008
Community benchmarks for virtual screening.
J. Comput. Aided Mol. Des., 2008
Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening.
J. Chem. Inf. Model., 2006
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening.
J. Chem. Inf. Model., 2005
Software Review: ChemOffice 2005 Pro by CambridgeSoft.
J. Chem. Inf. Model., 2005