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ChemPhysChem, ISSN 1439-4235, 04/2018, Volume 19, Issue 7, pp. 873 - 879
Accurate prediction of protein–ligand binding affinities is essential for hit‐to‐lead optimization and virtual screening. The reliability of scoring functions... 
crystallography | quantum mechanics | lead optimization | binding affinities | scoring function | Structure | Metalloenzymes | Quantum theory | Crystals | Protein binding
Journal Article
Journal Article
2005, Physical medicine and rehabilitation clinics of North America, ISBN 9781416034704, Volume 16, no. 4., xviii, p. 859-1169
Book
Journal of Computational Chemistry, ISSN 0192-8651, 01/2010, Volume 31, Issue 2, pp. 455 - 461
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude... 
Computer-aided drug design | Virtual screening | Scoring function | Multithreading | AutoDock | Molecular docking | molecular docking | virtual screening | LIGAND DOCKING | scoring function | BINDING AFFINITIES | COMPLEXES | PDBBIND DATABASE | multithreading | computer-aided drug design | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION
Journal Article
Protein Science, ISSN 0961-8368, 06/2019, Volume 28, Issue 6, pp. 1157 - 1162
Journal Article