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Journal of Molecular Graphics & Modelling|July 10, 2014
A DFT study on the physical adsorption of cyclophosphamide derivatives on the surface of fullerene C60 nanocageZahra Shariatinia, Samira ShahidiJournal of Molecular Graphics & Modelling|December 25, 2013
Mechanism and kinetic study of 3-fluoropropene with hydroxyl radical reactionYunju Zhang, Kai Chao, Xiumei Pan, et al.Journal of Molecular Graphics & Modelling|August 16, 2014
Computational and statistical study on the molecular interaction between antigen and antibodyTomonori Osajima, Masaaki Suzuki, Saburo Neya, et al.Journal of Molecular Graphics & Modelling|December 28, 2013
Homology modeling of T. cruzi and L. major NADH-dependent fumarate reductases: ligand docking, molecular dynamics validation, and insights on their binding modesAlicia Merlino, Marisol Vieites, Dinorah Gambino, et al.Journal of Molecular Graphics & Modelling|September 3, 2014
The interaction of local anesthetics with lipid membranesPatricio A Zapata-Morin, F J Sierra-Valdez, J C Ruiz-SuárezJournal of Molecular Graphics & Modelling|June 6, 2016
BIM (BCL-2 interacting mediator of cell death) SAHB (stabilized α helix of BCL2) not always convinces BAX (BCL-2-associated X protein) for apoptosisSharad Verma, Sukriti Goyal, Chetna Tyagi, et al.Journal of Molecular Graphics & Modelling|July 3, 2016
Binding mechanism of CDK5 with roscovitine derivatives based on molecular dynamics simulations and MM/PBSA methodsKeke Dong, Xuan Wang, Xueyu Yang, et al.Journal of Molecular Graphics & Modelling|November 12, 2015
Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate bindingQi Chen, Zheng-Jiao Luan, Hui-Lei Yu, et al.Journal of Molecular Graphics & Modelling|July 8, 2014
Trends in predicted chemoselectivity of cytochrome P450 oxidation: B3LYP barrier heights for epoxidation and hydroxylation reactionsPatrik Rydberg, Richard Lonsdale, Jeremy N Harvey, et al.Journal of Molecular Graphics & Modelling|July 8, 2014
Theoretical prediction of structural, vibrational and NMR parameters of plastic optical fiber (POF) material precursors. Cis and trans perhydro- and perfluoro-2-methylene-4,5-dimethyl-1,3-dioxolanesFarhod Nozirov, Teobald Kupka, Michał StachówPageof 401