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Journal of Computer-Aided Molecular Design|October 4, 2016
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challengeRajat Kumar Pal, Kamran Haider, Divya Kaur, et al.Journal of Computer-Aided Molecular Design|August 21, 2003
Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCAPhilippa R N Wolohan, Robert D ClarkJournal of Computer-Aided Molecular Design|December 1, 1992
LUDI: rule-based automatic design of new substituents for enzyme inhibitor leadsH J BöhmJournal of Computer-Aided Molecular Design|December 18, 2003
Prediction of blood-brain barrier permeation using quantum chemically derived informationMichael C HutterJournal of Computer-Aided Molecular Design|December 18, 2003
New designs for MRI contrast agentsP A Fernandes, A T P Carvalho, A T Marques, et al.Journal of Computer-Aided Molecular Design|January 2, 2004
Representation, searching and discovery of patterns of bases in complex RNA structuresAnne-Marie Harrison, Darren R South, Peter Willett, et al.Journal of Computer-Aided Molecular Design|January 10, 2004
Inhibition and substrate recognition--a computational approach applied to HIV proteaseH M Vinkers, M R de Jonge, E D Daeyaert, et al.Journal of Computer-Aided Molecular Design|January 10, 2004
A novel scoring function for molecular dockingA E Muryshev, D N Tarasov, A V Butygin, et al.Journal of Computer-Aided Molecular Design|December 1, 1992
Structure-activity relationship between the 3D distribution of the electrophilicity of sugar derivatives and their cytotoxic and antiviral propertiesA Ricca, J M Tronchet, J WeberJournal of Computer-Aided Molecular Design|October 1, 1992
Enhancement of the solubilities of polycyclic aromatic hydrocarbons by weak hydrogen bonds with waterP Ruelle, M Buchmann, H Nam-Tran, et al.Pageof 265