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Journal of Computer-Aided Molecular Design|December 22, 2015
Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsetsRand Shahin, Lubna Swellmeen, Omar Shaheen, et al.Journal of Computer-Aided Molecular Design|September 21, 2015
WONKA: objective novel complex analysis for ensembles of protein-ligand structuresA R Bradley, I D Wall, F von Delft, et al.Journal of Computer-Aided Molecular Design|December 1, 1989
Molecular dynamics simulation as a complement to diffraction in the study of disorder in crystalsJ O Thomas, M A ZendejasJournal of Computer-Aided Molecular Design|October 22, 2015
A Python tool to set up relative free energy calculations in GROMACSPavel V Klimovich, David L MobleyJournal of Computer-Aided Molecular Design|September 1, 1989
A novel approach to molecular similarityD L Cooper, N L AllanJournal of Computer-Aided Molecular Design|March 1, 2016
Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influenceErika Piccirillo, Benjamin Merget, Christoph A Sotriffer, et al.Journal of Computer-Aided Molecular Design|October 1, 2015
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructuresBijun Zhang, Martin Vogt, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|August 3, 2015
Visualization of multi-property landscapes for compound selection and optimizationAntonio de la Vega de León, Shilva Kayastha, Dilyana Dimova, et al.Journal of Computer-Aided Molecular Design|December 8, 2014
Rational design of biaryl pharmacophore inserted noscapine derivatives as potent tubulin binding anticancer agentsSeneha Santoshi, Naresh Kumar Manchukonda, Charu Suri, et al.Journal of Computer-Aided Molecular Design|October 25, 2014
Insight into the modified Ibalizumab-human CD4 receptor interactions: using a computational binding free energy approachYeng-Tseng Wang, Lea-Yea ChuangPageof 263