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Journal of Computer-Aided Molecular Design|August 3, 2014
AFAL: a web service for profiling amino acids surrounding ligands in proteinsMauricio Arenas-Salinas, Samuel Ortega-Salazar, Fernando Gonzales-Nilo, et al.Journal of Computer-Aided Molecular Design|August 4, 2014
The Royal Society of Chemistry and the delivery of chemistry data repositories for the communityAntony Williams, Valery TkachenkoJournal of Computer-Aided Molecular Design|August 6, 2014
Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterolValère Lounnas, Henry B Wedler, Timothy Newman, et al.Journal of Computer-Aided Molecular Design|December 25, 2013
Fragment-based Shape Signatures: a new tool for virtual screening and drug discoveryRandy J Zauhar, Eleonora Gianti, William J WelshJournal of Computer-Aided Molecular Design|December 1, 1989
Computer simulation of liquid crystalsM P Allen, M R WilsonJournal of Computer-Aided Molecular Design|April 9, 2016
A mechanism-based 3D-QSAR approach for classification and prediction of acetylcholinesterase inhibitory potency of organophosphate and carbamate analogsSehan Lee, Mace G BarronJournal of Computer-Aided Molecular Design|July 29, 2017
Structure-reactivity modeling using mixture-based representation of chemical reactionsPavel Polishchuk, Timur Madzhidov, Timur Gimadiev, et al.Journal of Computer-Aided Molecular Design|November 5, 2017
Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel diseaseArik Dahan, Milica Markovic, Shahar Keinan, et al.Journal of Computer-Aided Molecular Design|September 7, 2017
Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI modelsSamuel GenhedenPageof 265