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Journal of Molecular Modeling|July 6, 2015
Using of TiN-nanotubes and Cu-nanoparticles for conversion of CO2 to hydrocarbon fuelsLeila MahdavianJournal of Molecular Modeling|May 14, 2015
Comparative study of small boron, silicon and germanium clusters: B(m)Si(n) and B(m)Ge(n) (m + n = 2-4)Leonardo T Ueno, Valéria O Kiohara, Luiz F A Ferrão, et al.Journal of Molecular Modeling|May 14, 2015
Quantum chemical investigation on the role of Li adsorbed on anatase (101) surface nano-materials on the storage of molecular hydrogenV Srinivasadesikan, P Raghunath, M C LinJournal of Molecular Modeling|July 15, 2015
Functional role of R462 in the degradation of hyaluronan catalyzed by hyaluronate lyase from Streptococcus pneumoniaeFengxue Li, Dingguo XuJournal of Molecular Modeling|July 15, 2015
Universal short-range ab initio atom-atom potentials for interaction energy contributions with an optimal repulsion functional formJan K Konieczny, W Andrzej SokalskiJournal of Molecular Modeling|April 24, 2015
How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy simulationsYuzhuo Chu, Lu Sun, Shijun ZhongJournal of Molecular Modeling|April 28, 2015
Conformational stability of PCID2 upon DSS1 binding with molecular dynamics simulationQianjun Liu, Guodong Hu, Zanxia Cao, et al.Journal of Molecular Modeling|August 6, 2016
Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory studyClorice R Reinhardt, Tanner C Jaglinski, Ashly M Kastenschmidt, et al.Journal of Molecular Modeling|August 6, 2016
In-silico studies on DegP protein of Plasmodium falciparum in search of anti-malarialsDrista Sharma, Rani Soni, Sachin Patel, et al.Journal of Molecular Modeling|August 6, 2016
The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamicsAgnieszka A Kaczor, Manuela Jörg, Ben CapuanoPageof 708