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Journal of Chemical Information and Modeling|April 13, 2022
AutoDesigner, a <i>De Novo</i> Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d-Amino Acid Oxidase InhibitorsPieter H Bos, Evelyne M Houang, Fabio Ranalli, et al.ACS Bio & Med Chem Au|December 25, 2023
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase InhibitorsMayako Michino, Alexandre Beautrait, Nicholas A Boyles, et al.Journal of Medicinal Chemistry|April 8, 2016
WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor DockingRobert B Murphy, Matthew P Repasky, Jeremy R Greenwood, et al.Journal of Chemical Theory and Computation|March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand BindingEdward B Miller, Robert B Murphy, Daniel Sindhikara, et al.Journal of Medicinal Chemistry|July 10, 2023
Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279Silvana Leit, Jeremy Greenwood, Samantha Carriero, et al.Pageof 1