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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 ZhangJournal of Molecular Graphics & Modelling|February 4, 2019
Hydration of l-glycylvaline and l-glycylvalylglycine zwitterions: Structural and vibrational studies using DFT methodStève-Jonathan Koyambo-Konzapa, Zoubeida Dhaouadi, Mama NsangouJournal of Molecular Graphics & Modelling|December 28, 2019
Molecular modeling assisted identification and biological evaluation of potent cathepsin S inhibitorsSabahuddin Ahmad, Sudha Bhagwati, Sushil Kumar, et al.Journal of Molecular Graphics & Modelling|December 28, 2019
A first principles investigation on the influence of transition-metal elements on the structural, mechanical, and anisotropic properties of CaM2Al20 intermetallicsXudong Zhang, Tianhui Dong, He Ma, et al.Journal of Molecular Graphics & Modelling|December 28, 2019
Theoretical study on prismatic (N6)n (n=16-35) moleculesQian Guo, Bing He, Hongwei ZhouJournal of Molecular Graphics & Modelling|March 13, 2018
In silico investigation of the molecular effects caused by R123H variant in secretory phospholipase A2-IIA associated with ARDSBenedetta Righino, Angelo Minucci, Davide Pirolli, et al.Journal of Molecular Graphics & Modelling|March 18, 2018
Rational approach to identify newer caspase-1 inhibitors using pharmacophore based virtual screening, docking and molecular dynamic simulation studiesShivani Patel, Palmi Modi, Mahesh ChhabriaJournal of Molecular Graphics & Modelling|March 20, 2018
Theoretical study on the interactions between chlordecone hydrate and acidic surface groups of activated carbon under basic pH conditionsKenia Melchor-Rodríguez, Juan José Gamboa-Carballo, Anthuan Ferino-Pérez, et al.Journal of Molecular Graphics & Modelling|February 18, 2018
Ligand-based computer aided drug design reveals new tropomycin receptor kinase a (TrkA) inhibitorsRand Shahin, Iman Mansi, Lubna Swellmeen, et al.Pageof 408