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Journal of Molecular Graphics & Modelling|March 21, 2018
Tuning the field emission and electronic properties of silicon nanocones by Al and P doping: DFT studiesLeila Saedi, Maryam Maskanati, Majede Modheji, et al.Journal of Molecular Graphics & Modelling|December 24, 2018
The aqueous environment as an active participant in the protein folding processMałgorzata Gadzała, Dawid Dułak, Barbara Kalinowska, et al.Journal of Molecular Graphics & Modelling|December 15, 2018
Computational conformational analysis of α-thrombin inhibitors possessing distinct scaffolds in aqueous solution and on Ala-sheetKeigo GohdaJournal of Molecular Graphics & Modelling|December 17, 2018
Inhibition mechanism of L,D-transpeptidase 5 in presence of the β-lactams using ONIOM methodGideon F Tolufashe, Victor T Sabe, Collins U Ibeji, et al.Journal of Molecular Graphics & Modelling|November 27, 2018
A time and memory efficient recipe for fast normal mode computations of complexes with icosahedral symmetryGuang SongJournal of Molecular Graphics & Modelling|November 13, 2019
Mechanism and enantioselectivity of the asymmetric [3+2]-annulation between N-methylindole and enoldiazoacetamide catalyzed by prolinate-coordinated dirhodium: A theoretical studyMing Wen, Shihai Li, Jianjun Han, et al.Journal of Molecular Graphics & Modelling|December 3, 2019
Theoretical prediction of 2D XI2 (X=Si, Ge, Sn, Pb) monolayers by density functional theoryMosayeb Naseri, D M Hoat, Khaled Salehi, et al.Journal of Molecular Graphics & Modelling|November 24, 2019
The substituent effects on the [3+2] cycloaddition of nitrile oxides generated by photooxidation of arylazides to acetonitrileAidar R Yarullin, Mikhail Yu Ovchinnikov, Sergey L Khursan, et al.Journal of Molecular Graphics & Modelling|December 23, 2017
A direct two-dimensional pressure formulation in molecular dynamicsSumith Yd, Shalabh C MarooJournal of Molecular Graphics & Modelling|February 1, 2019
Curvature effect and stabilize ruptured membrane of BAX derived peptide studied by molecular dynamics simulationsZhenyan Jiang, Hansi ZhangPageof 402