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Journal of Computer-Aided Molecular Design|July 2, 2014
Encouraging data citation and discovery with the Data Citation IndexMegan M Force, Nigel J RobinsonJournal of Computer-Aided Molecular Design|September 1, 1989
ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structuresJ H Van Drie, D Weininger, Y C MartinJournal of Computer-Aided Molecular Design|March 27, 2015
Guidelines for the analysis of free energy calculationsPavel V Klimovich, Michael R Shirts, David L MobleyJournal of Computer-Aided Molecular Design|March 11, 2015
An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures"Eleonora Gianti, Randy J ZauharJournal of Computer-Aided Molecular Design|April 9, 2015
Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterizationAndrej Perdih, Martina Hrast, Kaja Pureber, et al.Journal of Computer-Aided Molecular Design|February 25, 2015
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discoveryIgnacio Aliagas, Alberto Gobbi, Timothy Heffron, et al.Journal of Computer-Aided Molecular Design|August 5, 1998
BUNDLE: a program for building the transmembrane domains of G-protein-coupled receptorsM Filizola, J J Perez, M Cartenì-FarinaJournal of Computer-Aided Molecular Design|August 5, 1998
Comparison of 3D quantitative structure-activity relationship methods: analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysisJ R Woolfrey, M A Avery, A M DoweykoJournal of Computer-Aided Molecular Design|August 5, 1998
Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450sM J de Groot, R W Havenith, H M Vinkers, et al.Journal of Computer-Aided Molecular Design|August 5, 1998
Conformational analysis of [Met5]-enkephalin: solvation and ionization considerationsL CarlacciPageof 264