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Journal of Computer-Aided Molecular Design|July 3, 2017
Improving binding mode and binding affinity predictions of docking by ligand-based search of protein conformations: evaluation in D3R grand challenge 2015Xianjin Xu, Chengfei Yan, Xiaoqin ZouJournal of Computer-Aided Molecular Design|December 6, 2005
Topological side-chain classification of beta-turns: ideal motifs for peptidomimetic developmentTran Trung Tran, Jim McKie, Wim D F Meutermans, et al.Journal of Computer-Aided Molecular Design|December 7, 2005
Possibilities for transfer of relevant data without revealing structural informationOmoshile O Clement, Osman F GünerJournal of Computer-Aided Molecular Design|July 14, 2018
Inhibition of protein interactions: co-crystalized protein-protein interfaces are nearly as good as holo proteins in rigid-body ligand dockingSaveliy Belkin, Petras J Kundrotas, Ilya A VakserJournal of Computer-Aided Molecular Design|June 24, 2018
Quantitative surface field analysis: learning causal models to predict ligand binding affinity and poseAnn E Cleves, Ajay N JainJournal of Computer-Aided Molecular Design|November 26, 2003
MCASE study of the multidrug resistance reversal activity of propafenone analogsGilles Klopman, Hao Zhu, Gerhard Ecker, et al.Journal of Computer-Aided Molecular Design|November 26, 2003
Binding of alpha-hydroxy-beta-amino acid inhibitors to methionine aminopeptidase. The performance of two types of scoring functionsAnne Techau Jørgensen, Morten Dahl Sørensen, Fredrik Björkling, et al.Journal of Computer-Aided Molecular Design|August 21, 2003
Exploring the molecular basis of selectivity in A1 adenosine receptors agonists: a case studyFabrizio Giordanetto, Paola Fossa, Giulia Menozzi, et al.Journal of Computer-Aided Molecular Design|August 21, 2003
In silico rationalization of the structural and physicochemical requirements for photobiological activity in angelicine derivatives and their heteroanaloguesFabrizio Giordanetto, Paola Fossa, Giulia Menozzi, et al.Journal of Computer-Aided Molecular Design|January 2, 2004
Structure-based prediction of free energy changes of binding of PTP1B inhibitorsJing Wang, Shek Ling Chan, Kal RamnarayanPageof 265