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Journal of Computer-Aided Molecular Design|March 19, 2010
Tautomerism, Hammett sigma, and QSARYvonne Connolly MartinJournal of Computer-Aided Molecular Design|February 25, 2010
Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitorsPrashant Revan Murumkar, Vishal Prakash Zambre, Mange Ram YadavJournal of Computer-Aided Molecular Design|February 1, 1993
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonistsY C Martin, M G Bures, E A Danaher, et al.Journal of Computer-Aided Molecular Design|December 30, 2009
A comparative study of AutoDock and PMF scoring performances, and SAR of 2-substituted pyrazolotriazolopyrimidines and 4-substituted pyrazolopyrimidines as potent xanthine oxidase inhibitorsHamed I Ali, Takayuki Fujita, Eiichi Akaho, et al.Journal of Computer-Aided Molecular Design|October 19, 2005
3D-chiral atom, atom-type, and total non-stochastic and stochastic molecular linear indices and their applications to central chirality codificationYovani Marrero-Ponce, Juan A Castillo-GaritJournal of Computer-Aided Molecular Design|October 26, 2005
Quantitative prediction of imprinting factor of molecularly imprinted polymers by artificial neural networkChanin Nantasenamat, Thanakorn Naenna, Chartchalerm Isarankura Na Ayudhya, et al.Journal of Computer-Aided Molecular Design|April 1, 1992
Computational simulations of the conformational behaviour of the adhesive proteins RGDS fragmentM Cotrait, M Kreissler, J Hoflack, et al.Journal of Computer-Aided Molecular Design|April 1, 1992
Characterization of low-energy conformational domains for Met-enkephalinJ J Perez, H O Villar, G H LoewJournal of Computer-Aided Molecular Design|April 1, 1992
Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculationB D Hudson, A R George, M G Ford, et al.Journal of Computer-Aided Molecular Design|May 7, 2002
Computational model of the complex between GR113808 and the 5-HT4 receptor guided by site-directed mutagenesis and the crystal structure of rhodopsinM L López-Rodríguez, M Murcia, B Benhamú, et al.Pageof 265