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Journal of Chemical Information and Computer Sciences|November 25, 2003
Assessment of experimental bond dissociation energies using composite ab initio methods and evaluation of the performances of density functional methods in the calculation of bond dissociation energiesYong Feng, Lei Liu, Jin-Ti Wang, et al.Journal of Chemical Information and Computer Sciences|November 25, 2003
Multivariate curve resolution methods in imaging spectroscopy: influence of extraction methods and instrumental perturbationsL Duponchel, W Elmi-Rayaleh, C Ruckebusch, et al.Journal of Chemical Information and Computer Sciences|September 23, 2003
Structural flexibility of non-nucleoside HIV-1 reverse transcriptase inhibitor: 9-Cl TIBO as explained by potential energy surface and (13)C and (1)H NMR calculations, based on ab initio and density functional studySuwipa Saen-Oon, Supa Hannongbua, Peter WolschannJournal of Chemical Information and Computer Sciences|September 23, 2003
Applications of a HOUDINI-based structure elucidation systemK-P Schulz, A Korytko, M E MunkJournal of Chemical Information and Computer Sciences|September 23, 2003
Prediction of soil sorption coefficient of a diverse set of organic chemicals from molecular structureJarmo HuuskonenJournal of Chemical Information and Computer Sciences|September 23, 2003
Generalized theoretical and practical treatment of the kinetics of an enzyme-catalyzed reaction in the presence of an enzyme equimolar irreversible inhibitorMarko Golicnik, Jure StojanJournal of Chemical Information and Computer Sciences|September 23, 2003
Pharmacophore features distributions in different classes of compoundsFabio ZuccottoJournal of Chemical Information and Computer Sciences|September 23, 2003
QSAR analysis of SH2-binding phosphopeptides: using interaction energies and cross-correlation coefficientsTaesung Moon, Jin-Soo Song, Jin Kak Lee, et al.Journal of Chemical Information and Computer Sciences|September 23, 2003
A comprehensive docking study on the selectivity of binding of aromatic compounds to proteinsCsaba Hetényi, Uko Maran, Mati KarelsonJournal of Chemical Information and Computer Sciences|September 23, 2003
Quantitative structure-based design: formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylaseDahua Pan, Yufeng Tseng, A J HopfingerPageof 132