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Journal of Molecular Graphics & Modelling|September 11, 2022
Investigation on the adsorption and transport properties of lithium ion in the covalent organic framework/carbon nanotube composite by molecular simulationYi Xu, Haoyan Fang, Jinlong Wang, et al.Journal of Molecular Graphics & Modelling|September 11, 2022
Understanding the effect of the divalent cations (Ni, Cu, and Zn) exchanged FAU zeolite on the kinetic of CO2 cycloaddition with ethylene oxide: A DFT studyWinyoo Sangthong, Jakkapan SirijaraensreJournal of Molecular Graphics & Modelling|November 4, 2021
From molecular dynamics to quantum mechanics of misfolded proteins and amyloid-like macroaggregates applied to neurodegenerative diseasesJean-Numa GilletJournal of Molecular Graphics & Modelling|August 29, 2022
A bibliometric analysis of the Journal of Molecular Graphics and Modelling: An updatePeter WillettJournal of Molecular Graphics & Modelling|August 29, 2022
Point mutation consideration in CcO protein of the electron transfer chain by MD simulationMahnaz Shojapour, Somayeh FarahmandJournal of Molecular Graphics & Modelling|October 22, 2022
Machine learning for yield prediction for chemical reactions using in situ sensorsJoseph C Davies, David Pattison, Jonathan D HirstJournal of Molecular Graphics & Modelling|October 29, 2022
Advanced simulations and screening to repurposing a 3C protease inhibitor against the rupintrivir-resistant human norovirus-induced gastroenteritisEsmaeil Behmard, Abdolmajid Ghasemian, Ebrahim Barzegari, et al.Journal of Molecular Graphics & Modelling|November 3, 2022
Study of pristine and functionalized V2C and Mo2C MXenes as novel electrode material for supercapacitorsBharti, Yogesh Kumar, Meenal Gupta, et al.Journal of Molecular Graphics & Modelling|July 20, 2015
A comparative study of binding affinities for 6,7-dimethoxy-4-pyrrolidylquinazolines as phosphodiesterase 10A inhibitors using the linear interaction energy methodErik Rosendahl Kjellgren, Oliver Emil Skytte Glue, Peter Reinholdt, et al.Journal of Molecular Graphics & Modelling|July 20, 2015
Evaluation of the aromaticity of non-planar and bowl-shaped molecules by NICS criterionAdel Reisi-Vanani, Ali Asghar RezaeiPageof 407