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Bioinformatics (Oxford, England)|January 3, 2012
Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structureDavid Ryan Koes, Carlos J CamachoJournal of Chemical Information and Modeling|May 25, 2011
Pharmer: efficient and exact pharmacophore searchDavid Ryan Koes, Carlos J CamachoJournal of Computational Chemistry|July 23, 2014
Shape-based virtual screening with volumetric aligned molecular shapesDavid Ryan Koes, Carlos J CamachoProteins|July 2, 2021
SidechainNet: An all-atom protein structure dataset for machine learningJonathan Edward King, David Ryan KoesNucleic Acids Research|May 4, 2012
ZINCPharmer: pharmacophore search of the ZINC databaseDavid Ryan Koes, Carlos J CamachoJournal of Computer-Aided Molecular Design|December 7, 2023
Open-ComBind: harnessing unlabeled data for improved binding pose predictionAndrew T McNutt, David Ryan KoesJournal of Microbiological Methods|July 11, 2006
Washing methanogenic cells with the liquid fraction from a Mars soil simulant and water mixtureDavid Ryan Ormond, Timothy A KralNucleic Acids Research|April 24, 2012
PocketQuery: protein-protein interaction inhibitor starting points from protein-protein interaction structureDavid Ryan Koes, Carlos J CamachoJournal of Chemical Information and Modeling|April 5, 2022
Improving ΔΔG Predictions with a Multitask Convolutional Siamese NetworkAndrew T McNutt, David Ryan KoesKnowledge and Information Systems|June 19, 2015
Indexing Volumetric Shapes with Matching and PackingDavid Ryan Koes, Carlos J CamachoPageof 18