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Journal of Computer-Aided Molecular Design|October 12, 2013
ALOHA: a novel probability fusion approach for scoring multi-parameter drug-likeness during the lead optimization stage of drug discoveryDerek A Debe, Ravindra B Mamidipaka, Robert J Gregg, et al.Journal of Computer-Aided Molecular Design|August 1, 1993
Protein fold recognitionD Jones, J ThorntonJournal of Computer-Aided Molecular Design|August 1, 1993
The importance of short structural motifs in protein structure analysisR Unger, J L SussmanJournal of Computer-Aided Molecular Design|April 1, 1994
Conformational properties of pyrethroidsA Mullaley, R TaylorJournal of Computer-Aided Molecular Design|April 1, 1994
FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structureM D Miller, S K Kearsley, D J Underwood, et al.Journal of Computer-Aided Molecular Design|April 1, 1994
Effects of variable selection on CoMFA coefficient contour maps in a set of triazines inhibiting DHFRG Greco, E Novellino, M Pellecchia, et al.Journal of Computer-Aided Molecular Design|August 27, 2016
Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015Nanjie Deng, William F Flynn, Junchao Xia, et al.Journal of Computer-Aided Molecular Design|August 28, 2016
Yada: a novel tool for molecular docking calculationsS Piotto, L Di Biasi, R Fino, et al.Journal of Computer-Aided Molecular Design|August 24, 2016
Azahar: a PyMOL plugin for construction, visualization and analysis of glycan moleculesAgustina Arroyuelo, Jorge A Vila, Osvaldo A MartinJournal of Computer-Aided Molecular Design|August 26, 2016
Molecular graph convolutions: moving beyond fingerprintsSteven Kearnes, Kevin McCloskey, Marc Berndl, et al.Pageof 265