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Journal of Molecular Graphics & Modelling|December 3, 2014
Probing the binding site characteristics of HSA: a combined molecular dynamics and cheminformatics investigationPrapasiri Pongprayoon, M Paul GleesonJournal of Molecular Graphics & Modelling|December 2, 2014
Effect of methanol on the phase-transition properties of glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulations: in quest of the biphasic effectMonika Laner, Philippe H HünenbergerJournal of Molecular Graphics & Modelling|November 8, 2020
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding affinity predicationBin Liu, Wei Zhang, Sheng Guo, et al.Journal of Molecular Graphics & Modelling|September 8, 2020
Theoretical prediction of F-doped hexagonal boron nitride: A promising strategy to enhance the capacity of adsorptive desulfurizationYujun Li, Naixia Lv, Chao Wang, et al.Journal of Molecular Graphics & Modelling|November 12, 2020
Multiconformational analysis of tripeptides upon consideration of implicit and explicit hydration effectsBelén Hernández, Fernando Pflüger, Sergei G Kruglik, et al.Journal of Molecular Graphics & Modelling|September 4, 2020
DNA base sequence specificity through partial intercalation: DFT-D based energy analysis of molecular dynamics snapshotsSoumi Das, Siddhartha Roy, Dhananjay BhattacharyyaJournal of Molecular Graphics & Modelling|February 18, 2020
Effects of tosyl-l-arginine methyl ester (TAME) on the APC/c subunits: An in silico investigation for inhibiting cell cycleMahya Marashiyan, Hourieh Kalhor, Maziar Ganji, et al.Journal of Molecular Graphics & Modelling|February 26, 2020
Effects of the deglycosylation on the structure and activity of chloroperoxidase: Molecular dynamics simulation approachMaryam Ghorbani Sangoli, Mohammad Reza Housaindokht, Mohammad Reza BozorgmehrJournal of Molecular Graphics & Modelling|November 10, 2019
DFT modeling of thermoelectric and optical features of novel MgxSn1-xSe (x = 6%, 12% & 18%)Sikander Azam, Muhammad Umer, Umer Saeed, et al.Journal of Molecular Graphics & Modelling|January 10, 2020
Identification of potential platelet-derived growth factor receptor α inhibitors by computational screening and binding simulationsHairui Wu, Xi Gu, Jinling Li, et al.Pageof 402