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Journal of Computer-Aided Molecular Design|June 18, 2017
Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?Dilyana Dimova, Jürgen BajorathJournal of Computer-Aided Molecular Design|June 18, 2017
GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand dockingMinkyung Baek, Woong-Hee Shin, Hwan Won Chung, et al.Journal of Computer-Aided Molecular Design|July 1, 1987
Strategic approaches to drug design. II. Modelling studies on phosphodiesterase substrates and inhibitorsA Davis, B H Warrington, J G VinterJournal of Computer-Aided Molecular Design|April 9, 2018
Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approachesSongling Ma, Jiwon Choi, Xuemei Jin, et al.Journal of Computer-Aided Molecular Design|April 1, 1994
Semi-rigid analogues of the calcium antagonist verapamil: a molecular modelling studyM N Romanelli, S Dei, S Scapecchi, et al.Journal of Computer-Aided Molecular Design|April 1, 1994
Common prevalence of alanine and glycine in mobile reactive centre loops of serpins and viral fusion peptides: do prions possess a fusion peptide?I Callebaut, A Tasso, R Brasseur, et al.Journal of Computer-Aided Molecular Design|September 21, 2016
Partition coefficients for the SAMPL5 challenge using transfer free energiesMichael R Jones, Bernard R Brooks, Angela K WilsonJournal of Computer-Aided Molecular Design|September 16, 2016
Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitorsJacopo Sgrignani, Filomena De Luca, Hayarpi Torosyan, et al.Journal of Computer-Aided Molecular Design|July 1, 1988
Computer simulations in zeolite chemistryS RamdasJournal of Computer-Aided Molecular Design|September 8, 2016
Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonistNam-Chul Cho, Seoung-Hwan Seo, Dohee Kim, et al.Pageof 265