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Journal of Computer-Aided Molecular Design|April 20, 2006
Prediction of standard Gibbs energies of the transfer of peptide anions from aqueous solution to nitrobenzene based on support vector machine and the heuristic methodLuan Feng, Zhang Xiaoyun, Zhang Haixia, et al.Journal of Computer-Aided Molecular Design|October 21, 2006
Molecular dynamics simulations on the inhibition of cyclin-dependent kinases 2 and 5 in the presence of activatorsBing Zhang, Vincent B C Tan, Kian Meng Lim, et al.Journal of Computer-Aided Molecular Design|November 16, 2006
Cannabinoid CB1 receptor recognition of endocannabinoids via the lipid bilayer: molecular dynamics simulations of CB1 transmembrane helix 6 and anandamide in a phospholipid bilayerDiane L Lynch, Patricia H ReggioJournal of Computer-Aided Molecular Design|November 8, 2006
Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayerMarta Filizola, Simon X Wang, Harel WeinsteinJournal of Computer-Aided Molecular Design|November 15, 2006
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSARMingyue Zheng, Kunqian Yu, Hong Liu, et al.Journal of Computer-Aided Molecular Design|August 2, 2005
Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitorsHwangseo Park, Sangyoub LeeJournal of Computer-Aided Molecular Design|December 1, 1991
OVID and SUPER: two overlap programs for drug designR B Hermann, D K HerronJournal of Computer-Aided Molecular Design|December 1, 1991
A proposal for the molecular basis of mu and delta opiate receptor differentiation based on modeling of two types of cyclic enkephalins and a narcotic alkaloidA Michel, G Villeneuve, J DiMaioJournal of Computer-Aided Molecular Design|February 1, 1991
On the representation of electrostatic fields around ab initio charge distributionsS L Price, N G RichardsJournal of Computer-Aided Molecular Design|August 27, 2010
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studiesPrabu Manoharan, R S K Vijayan, Nanda GhoshalPageof 264