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Journal of Computer-Aided Molecular Design|April 12, 2006
Novel approach to evolutionary neural network based descriptor selection and QSAR model developmentZeljko Debeljak, Viktor Marohnić, Goran Srecnik, et al.Journal of Computer-Aided Molecular Design|April 1, 1991
Molecular structure matching by simulated annealing. IV. Classification of atom correspondences in sets of dissimilar moleculesM C Papadopoulos, P M DeanJournal of Computer-Aided Molecular Design|June 20, 2006
Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniquesAntreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, et al.Journal of Computer-Aided Molecular Design|August 10, 2006
ADAAPT: Amgen's data access, analysis, and prediction toolsSung Jin Cho, Yaxiong Sun, William HarteJournal of Computer-Aided Molecular Design|September 15, 2006
Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitorsMarcin Hoffmann, Krystian Eitner, Marcin von Grotthuss, et al.Journal of Computer-Aided Molecular Design|September 15, 2006
Ab initio computational modeling of long loops in G-protein coupled receptorsSandhya Kortagere, Amitava Roy, Ernest L MehlerJournal of Computer-Aided Molecular Design|September 30, 2006
Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligandsPrasanna A Datar, Santosh A Khedkar, Alpeshkumar K Malde, et al.Journal of Computer-Aided Molecular Design|March 3, 2007
Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in 'in silico' selection of new lead tyrosinase inhibitorsYovani Marrero-Ponce, Mahmud Tareq Hassan Khan, Gerardo M Casañola-Martín, et al.Journal of Computer-Aided Molecular Design|March 6, 2007
Outliers in SAR and QSAR: is unusual binding mode a possible source of outliers?Ki Hwan KimJournal of Computer-Aided Molecular Design|November 25, 2006
Conformational specificity of non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysisShayantani Mukherjee, Manju Bansal, Dhananjay BhattacharyyaPageof 265