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Journal of Molecular Modeling|December 3, 2008
Phylogenetic analysis, homology modelling, molecular dynamics and docking studies of caffeoyl-CoA-O- methyl transferase (CCoAOMT 1 and 2) isoforms isolated from subabul (Leucaena leucocephala)Nataraj Sekhar Pagadala, Manish Arha, P S Reddy, et al.Journal of Molecular Modeling|December 5, 2008
Effects of tryptophan residue fluorination on streptavidin stability and biotin-streptavidin interactions via molecular dynamics simulationsJarosław J Panek, Thomas R Ward, Aneta Jezierska, et al.Journal of Molecular Modeling|January 21, 2009
De(side chain) model of epothilone: bioconformer interconversions DFT studyDanuta Rusinska-Roszak, Marek LozynskiJournal of Molecular Modeling|April 17, 2009
Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case studyFedor N Novikov, Viktor S Stroylov, Oleg V Stroganov, et al.Journal of Molecular Modeling|October 21, 2009
Docking and 3D-QSAR studies of acetohydroxy acid synthase inhibitor sulfonylurea derivativesKunal Roy, Somnath PaulJournal of Molecular Modeling|October 24, 2009
Hydrogen bonding interactions in PN...HX complexes: DFT and ab initio studies of structure, properties and topologyPradeep Risikrishna VaradwajJournal of Molecular Modeling|October 27, 2009
Site-directed fragment-based generation of virtual sialic acid databases against influenza A hemagglutininMohammed Noor Al-qattan, Mohd Nizam MordiJournal of Molecular Modeling|February 16, 2010
Some physicochemical properties of the antitumor drug thiotepa and its metabolite tepa as obtained by density functional theory (DFT) calculationsDjaffar Kheffache, Ourida OuameraliJournal of Molecular Modeling|February 17, 2010
Theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygenMahin Gheidi, Nasser Safari, Mansour ZahediJournal of Molecular Modeling|October 14, 2009
A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarityWenjia Luo, Jianfeng Pei, Yushan ZhuPageof 694