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Journal of Computer-Aided Molecular Design|November 2, 2001
Evaluation of designed ligands by a multiple screening method: application to glycogen phosphorylase inhibitors constructed with a variety of approachesS S So, M KarplusJournal of Computer-Aided Molecular Design|November 2, 2001
A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolismG M KeseruJournal of Computer-Aided Molecular Design|November 23, 2001
A new topological index to elucidate apolar hydrocarbonsF TorrensJournal of Computer-Aided Molecular Design|December 29, 2000
Construction of a full three-dimensional model of the transpeptidase domain of Streptococcus pneumoniae PBP2x starting from its Calpha-atom coordinatesP A van Hooft, H D HöltjeJournal of Computer-Aided Molecular Design|December 29, 2000
Development of a unique 3D interaction model of endogenous and synthetic peripheral benzodiazepine receptor ligandsN Cinone, H D Hötje, A CarottiJournal of Computer-Aided Molecular Design|December 29, 2000
Simple knowledge-based descriptors to predict protein-ligand interactions. methodology and validationNissink JWM, M L Verdonk, G KlebeJournal of Computer-Aided Molecular Design|February 24, 2001
SLATE: a method for the superposition of flexible ligandsJ E Mills, I J de Esch, T D Perkins, et al.Journal of Computer-Aided Molecular Design|July 15, 2000
Structure-based design of potent CDK1 inhibitors derived from olomoucineP Furet, J Zimmermann, H G Capraro, et al.Journal of Computer-Aided Molecular Design|June 8, 2001
Protein ligand docking based on empirical method for binding affinity estimationP Tao, L LaiJournal of Computer-Aided Molecular Design|June 8, 2001
Classification of protein disulphide-bridge topologiesJ M Mas, P Aloy, M A Martí-Renom, et al.Pageof 265