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Journal of Computer-Aided Molecular Design|January 25, 2011
Structure-activity relationships of diphenyl-ether as protoporphyrinogen oxidase inhibitors: insights from computational simulationsGe-Fei Hao, Ying Tan, Ning-Xi Yu, et al.Journal of Computer-Aided Molecular Design|January 12, 2011
The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculationsYuanhua Cheng, Wei Cui, Quan Chen, et al.Journal of Computer-Aided Molecular Design|June 8, 2010
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin--an insight from molecular dynamics simulations with classical and ab initio force fieldsJarosław J Panek, Thomas R Ward, Aneta Jezierska-Mazzarello, et al.Journal of Computer-Aided Molecular Design|August 20, 2010
QMOD: physically meaningful QSARAjay N JainJournal of Computer-Aided Molecular Design|July 13, 2010
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0Giulio Vistoli, Alessandro Pedretti, Angelica Mazzolari, et al.Journal of Computer-Aided Molecular Design|September 4, 2010
Trainable structure-activity relationship model for virtual screening of CYP3A4 inhibitionRemigijus Didziapetris, Justas Dapkunas, Andrius Sazonovas, et al.Journal of Computer-Aided Molecular Design|December 1, 1990
Cavity search: an algorithm for the isolation and display of cavity-like binding regionsC M Ho, G R MarshallJournal of Computer-Aided Molecular Design|July 9, 2010
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostaticsM Stuart Armstrong, Garrett M Morris, Paul W Finn, et al.Journal of Computer-Aided Molecular Design|July 8, 2010
In silico analysis of the histaprodifen induced activation pathway of the guinea-pig histamine H(1)-receptorAndrea Strasser, Hans-Joachim WittmannJournal of Computer-Aided Molecular Design|December 25, 2010
Interaction of clozapine and its nitrenium ion with rat D2 dopamine receptors: in vitro binding and computational studySébastien Dilly, Jean-François LiégeoisPageof 265