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QRB Discovery|August 2, 2023
Integrative structural modelling and visualisation of a cellular organelleLudovic Autin, Brett A Barbaro, Andrew I Jewett, et al.Journal of Computer-Aided Molecular Design|January 2, 2004
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modelingRobin J Rosenfeld, David S Goodsell, Rabi A Musah, et al.Journal of Chemical Information and Modeling|October 22, 2024
CosolvKit: a Versatile Tool for Cosolvent MD Preparation and AnalysisNiccolo' Bruciaferri, Jerome Eberhardt, Manuel A Llanos, et al.Journal of Computational Chemistry|April 29, 2009
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibilityGarrett M Morris, Ruth Huey, William Lindstrom, et al.Molecular Pharmacology|June 6, 2009
Stabilizers of the Max homodimer identified in virtual ligand screening inhibit Myc functionHao Jiang, Kristen E Bower, Albert E Beuscher, et al.Bioorganic & Medicinal Chemistry|May 13, 2008
Selection of phage-displayed peptides that bind to a particular ligand-bound antibodyFujie Tanaka, Yunfeng Hu, Jori Sutton, et al.Bioinformatics (Oxford, England)|March 3, 2019
AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactionsJuan Pablo Arcon, Carlos P Modenutti, Demian Avendaño, et al.Journal of Computer-Aided Molecular Design|November 7, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, et al.Journal of the American Chemical Society|September 29, 2020
Synthetic, Mechanistic, and Biological Interrogation of Ginkgo biloba Chemical Space En Route to (-)-BilobalideRobert M Demoret, Meghan A Baker, Masaki Ohtawa, et al.Bioorganic & Medicinal Chemistry|April 3, 2003
Design and synthesis of broad-based mono- and bi- cyclic inhibitors of FIV and HIV proteasesChi Ching Mak, Ashraf Brik, Danica L Lerner, et al.Pageof 18