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Journal of Molecular Graphics & Modelling|July 3, 2007
Biochemical characterization, homology modeling and docking studies of ornithine delta-aminotransferase--an important enzyme in proline biosynthesis of plantsP Nataraj Sekhar, R Naga Amrutha, Shubhada Sangam, et al.Journal of Molecular Graphics & Modelling|July 25, 2007
Structural, electronic, and magnetic properties of two isomers of C40 O10 with cage-like structureFeng-Ling Liu, Chen-Hui WangJournal of Molecular Graphics & Modelling|May 12, 2007
Ab initio QM/MM modelling of acetyl-CoA deprotonation in the enzyme citrate synthaseMarc W van der Kamp, Francesca Perruccio, Adrian J MulhollandJournal of Molecular Graphics & Modelling|May 12, 2007
Structure-based prediction of MHC-peptide association: algorithm comparison and application to cancer vaccine designAlexandra J Schiewe, Ian S HaworthJournal of Molecular Graphics & Modelling|May 12, 2007
A DFT-based quantum theoretic QSAR study of aromatic and heterocyclic sulfonamides as carbonic anhydrase inhibitors against isozyme, CA-IIErol Eroglu, Hasan TürkmenJournal of Molecular Graphics & Modelling|June 5, 2007
Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculationsSuwipa Saen-oon, Ornjira Aruksakunwong, Kittiyaporn Wittayanarakul, et al.Journal of Molecular Graphics & Modelling|June 5, 2007
Exploring ligand recognition and ion flow in comparative models of the human GABA type A receptorYounes Mokrab, Vassiliy N Bavro, Kenji Mizuguchi, et al.Journal of Molecular Graphics & Modelling|May 26, 2007
Exploring the active site of acyl homoserine lactones-dependent transcriptional regulators with bacterial quorum sensing modulators using molecular mechanics and docking studiesLaurent Soulère, Marine Frezza, Yves Queneau, et al.Journal of Molecular Graphics & Modelling|May 1, 2007
Sphingosine 1-phosphate pKa and binding constants: intramolecular and intermolecular influencesMor M Naor, Michelle D Walker, James R Van Brocklyn, et al.Journal of Molecular Graphics & Modelling|May 10, 2006
A theoretical study of a family of new quinoxaline derivativesReinaldo Pis Diez, Pablo R Duchowicz, Heriberto Castañeta, et al.Pageof 407