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Journal of Computer-Aided Molecular Design|December 18, 2015
Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulationsRaoni Almeida de Souza, Natalia Díaz, Ronaldo Alves Pinto Nagem, et al.Journal of Computer-Aided Molecular Design|December 16, 2015
Theoretical studies on the reaction of mono- and ditriflate derivatives of 1,4:3,6-dianhydro-D-mannitol with trimethylamine--Can a quaternary ammonium salt be a source of the methyl group?Justyna Bednarko, Justyna Wielińska, Karol Sikora, et al.Journal of Computer-Aided Molecular Design|January 1, 1989
Molecular mechanics calculations on deaminooxytocin and on deamino-arginine-vasopressin and its analoguesA Liwo, A Tempczyk, Z GrzonkaJournal of Computer-Aided Molecular Design|March 1, 1989
Geometries of functional group interactions in enzyme-ligand complexes: guides for receptor modellingM Tintelnot, P AndrewsJournal of Computer-Aided Molecular Design|March 1, 1989
Computer simulation of the conformational behavior of cholecystokinin fragments: conformational families of sulfated CCK8M Kreissler, M Pesquer, B Maigret, et al.Journal of Computer-Aided Molecular Design|May 12, 2016
TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR modelsZhi-Jiang Yao, Jie Dong, Yu-Jing Che, et al.Journal of Computer-Aided Molecular Design|June 9, 2016
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug designJohannes R Loeffler, Emanuel S R Ehmki, Julian E Fuchs, et al.Journal of Computer-Aided Molecular Design|October 11, 2014
Investigation of the intermolecular recognition mechanism between the E3 ubiquitin ligase Keap1 and substrate based on multiple substrates analysisZheng-Yu Jiang, Li-Li Xu, Meng-Chen Lu, et al.Journal of Computer-Aided Molecular Design|November 20, 2014
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modelingDaniel Cappel, Steven L Dixon, Woody Sherman, et al.Journal of Computer-Aided Molecular Design|July 9, 2016
Computational study of the inhibitory mechanism of the kinase CDK5 hyperactivity by peptide p5 and derivation of a pharmacophoreA Cardone, M Brady, R Sriram, et al.Pageof 265