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Journal of Computer-Aided Molecular Design|October 1, 1992
Automatic superposition of drug molecules based on their common receptor siteY Kato, A Inoue, M Yamada, et al.Journal of Computer-Aided Molecular Design|October 16, 2019
Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulationsChristian Bustamante, Rodrigo Ochoa, Claudia Asela, et al.Journal of Computer-Aided Molecular Design|April 17, 2019
Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structuresMei Qian Yau, Abigail L Emtage, Nathaniel J Y Chan, et al.Journal of Computer-Aided Molecular Design|September 3, 2018
Rescoring of docking poses under Occam's Razor: are there simpler solutions?Michael Zhenin, Malkeet Singh Bahia, Gilles Marcou, et al.Journal of Computer-Aided Molecular Design|September 16, 2018
Weak interactions in furan dimersIrena MajerzJournal of Computer-Aided Molecular Design|August 4, 2018
The SAMPL6 challenge on predicting aqueous pKa values from EC-RISM theoryNicolas Tielker, Lukas Eberlein, Stefan Güssregen, et al.Journal of Computer-Aided Molecular Design|July 19, 2018
How medicinal chemists learned about log PYvonne Connolly MartinJournal of Computer-Aided Molecular Design|July 1, 1987
A theoretical study of angiotensin-converting enzyme inhibitorsM R Saunders, M S Tute, G A WebbJournal of Computer-Aided Molecular Design|July 1, 1987
The active analog approach applied to the pharmacophore identification of benzodiazepine receptor ligandsS Tebib, J J Bourguignon, C G WermuthJournal of Computer-Aided Molecular Design|January 1, 1988
Brownian dynamics simulation of protein associationS H Northrup, J A Luton, J O Boles, et al.Pageof 263