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Journal of Computer-Aided Molecular Design|July 21, 2006
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterizationToni Rönkkö, Anu J Tervo, Jussi Parkkinen, et al.Journal of Computer-Aided Molecular Design|July 21, 2006
Hierarchical clustering analysis of flexible GBR 12909 dialkyl piperazine and piperidine analogsKathleen M Gilbert, Carol A VenanziJournal of Computer-Aided Molecular Design|October 21, 2006
Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationshipsBård Buttingsrud, Einar Ryeng, Ross D King, et al.Journal of Computer-Aided Molecular Design|July 30, 2008
Structural modeling of glucanase-substrate complexes suggests a conserved tyrosine is involved in carbohydrate recognition in plant 1,3-1,4-beta-D-glucanasesLi-Chu Tsai, Yi-Ning Chen, Lie-Fen ShyurJournal of Computer-Aided Molecular Design|August 1, 1991
Development of a conformational search strategy for flexible ligands: a study of the potent mu-selective opioid analgesic fentanylC Cometta-Morini, G H LoewJournal of Computer-Aided Molecular Design|April 20, 2006
Force-field parametrization of retro-inverso modified residues: development of torsional and electrostatic parametersDavid Curcó, Francisco Rodríguez-Ropero, Carlos AlemánJournal of Computer-Aided Molecular Design|June 20, 2006
Comparison of a homology model and the crystallographic structure of human 11beta-hydroxysteroid dehydrogenase type 1 (11betaHSD1) in a structure-based identification of inhibitorsLaurence Miguet, Ziding Zhang, Maryse Barbier, et al.Journal of Computer-Aided Molecular Design|June 17, 2006
Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenaseMaciej Szaleniec, Małgorzata Witko, Ryszard Tadeusiewicz, et al.Journal of Computer-Aided Molecular Design|August 23, 2007
Analysis of the activation mechanism of the guinea-pig Histamine H1-receptorAndrea Strasser, Hans-Joachim WittmannJournal of Computer-Aided Molecular Design|August 22, 2007
Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitorsPreyesh Stephen, Ramachandran Vijayan, Audesh Bhat, et al.Pageof 263