reviewTop 1% cited
Docking and scoring in virtual screening for drug discovery: methods and applications
Nature Reviews Drug Discovery · 2004 · Vol. 3(11) · pp. 935–949
Douglas B. Kitchen(Albany Molecular Research (United States))Hélène Decornez(Albany Molecular Research (United States))John R. Furr(Albany Molecular Research (United States))Jürgen Bajorath✉(Albany Molecular Research (United States))
Computational Drug Discovery MethodsProtein Structure and DynamicsHIV/AIDS drug development and treatmentVirtual screeningDrug discoveryDOCKComputer scienceDocking (animal)Computational biologyComplementarity (molecular biology)Data scienceIdentification (biology)Biochemical engineering
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References
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
Journal of Medicinal Chemistry · 2003 · 848 citations
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
Accounts of Chemical Research · 2000 · 4,872 citations
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
Journal of Medicinal Chemistry · 2004 · 9,717 citations
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
Journal of Medicinal Chemistry · 1999 · 994 citations
Semianalytical treatment of solvation for molecular mechanics and dynamics
Journal of the American Chemical Society · 1990 · 3,632 citations
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
Journal of Molecular Biology · 1997 · 6,621 citations
Improved protein–ligand docking using GOLD
Proteins Structure Function and Bioinformatics · 2003 · 3,013 citations
Analytical molecular surface calculation
Journal of Applied Crystallography · 1983 · 2,500 citations
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