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Journal of Molecular Modeling|March 25, 2019
Structure-based identification of potent VEGFR-2 inhibitors from in vivo metabolites of a herbal ingredientRaju Dash, Md Junaid, Sarmistha Mitra, et al.Journal of Molecular Modeling|April 7, 2019
De novo design of anticancer peptides by ensemble artificial neural networksFrancesca Grisoni, Claudia S Neuhaus, Miyabi Hishinuma, et al.Journal of Molecular Modeling|March 15, 2019
A first-principles investigation of the influence of polyanionic boron doping on the stability and electrochemical behavior of Na3V2(PO4)3Qiang Wang, Quanyu Wang, Mingying Zhang, et al.Journal of Molecular Modeling|February 14, 2014
Structural flexibility of 4,4'-methylene diphenyl diisocyanate (4,4'-MDI): evidence from first principles calculationsPawel Rodziewicz, Jakub GoclonJournal of Molecular Modeling|February 5, 2014
Conformational and coalescence behavior of trialkylphosphates in vacuum, water and dodecaneA S Suneesh, G V S Ashok Kumar, K Gururaj, et al.Journal of Molecular Modeling|October 13, 2009
Computational (DFT and TD DFT) study of the electron structure of the tautomers/conformers of uridine and deoxyuridine and the processes of intramolecular proton transfersVassil B DelchevJournal of Molecular Modeling|February 15, 2014
Computational quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbonFengyu Li, De-en Jiang, Zhongfang ChenJournal of Molecular Modeling|February 15, 2014
Quantum photonic base states: concept and molecular modeling. Managing chemical process descriptions beyond semi-classic schemesO TapiaJournal of Molecular Modeling|February 15, 2014
Investigation on the mechanism for the binding and drug resistance of wild type and mutations of G86 residue in HIV-1 protease complexed with Darunavir by molecular dynamic simulation and free energy calculationDan Li, Ying Zhang, Run-Ning Zhao, et al.Journal of Molecular Modeling|February 25, 2014
Experimental and theoretical study of the mechanism of hydrolysis of substituted phenyl hexanoates catalysed by globin in the presence of surfactantSelami Ercan, Nevin Arslan, Safak Ozhan Kocakaya, et al.Pageof 697