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Journal of Computer-Aided Molecular Design|September 27, 2005
A three-dimensional model of the human immunodeficiency virus type 1 integration complexJerome Wielens, Ian T Crosby, David K ChalmersJournal of Computer-Aided Molecular Design|September 27, 2005
The 3D structure of the binding pocket of the human oxytocin receptor for benzoxazine antagonists, determined by molecular docking, scoring functions and 3D-QSAR methodsBalázs Jójárt, Tamás A Martinek, Arpád MárkiJournal of Computer-Aided Molecular Design|February 13, 2007
Design and characterization of an engineered gp41 protein from human immunodeficiency virus-1 as a tool for drug discoveryKent D Stewart, Kevin Steffy, Kevin Harris, et al.Journal of Computer-Aided Molecular Design|February 13, 2007
TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear timeIngo Schellhammer, Matthias RareyJournal of Computer-Aided Molecular Design|February 13, 2007
Structure and reaction based evaluation of synthetic accessibilityKrisztina Boda, Thomas Seidel, Johann GasteigerJournal of Computer-Aided Molecular Design|February 14, 2007
Using a pharmacophore representation concept to elucidate molecular similarity of dopamine antagonistsV Atlamazoglou, T Thireou, E EliopoulosJournal of Computer-Aided Molecular Design|March 3, 2007
kScore: a novel machine learning approach that is not dependent on the data structure of the training setScott Oloff, Ingo MueggeJournal of Computer-Aided Molecular Design|January 5, 2007
Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling studyRavindra G Kulkarni, Palukuri Srivani, Garlapati Achaiah, et al.Journal of Computer-Aided Molecular Design|July 15, 2006
Permuting input for more effective sampling of 3D conformer spaceGiorgio Carta, Valeria Onnis, Andrew J S Knox, et al.Journal of Computer-Aided Molecular Design|May 16, 2007
Calculations of protein-ligand binding entropy of relative and overall molecular motionsAnatoly M RuvinskyPageof 264