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Journal of Molecular Graphics & Modelling|May 28, 2017
Development an efficient calibrated nonlocal plate model for nonlinear axial instability of zirconia nanosheets using molecular dynamics simulationS Sahmani, A M FattahiJournal of Molecular Graphics & Modelling|July 17, 2026
MTK_MCPA: A novel magnesium-competitive inhibitor of Mycobacterium tuberculosis thymidylate kinaseMuhammad Tahir Khan, Hassam Akram Khan, Maira Bibi, et al.Journal of Molecular Graphics & Modelling|June 27, 2026
A mechanism-guided framework for prioritizing membrane-interaction anti-Vibrio peptides from peptidomics dataSupatcha Lertampaiporn, Warin Wattanapornprom, Apiradee HongsthongJournal of Molecular Graphics & Modelling|June 29, 2026
Beyond the catalytic site: Voxilaprevir and Pasireotide as repurposed therapeutics for conformational inhibition of ADAR1Erick Bahena-Culhuac, Rodolfo Gamaliel Avila-Bonilla, Rodolfo Daniel Ávila-AvilésJournal of Molecular Graphics & Modelling|July 2, 2026
Halide-encapsulated C24 fullerenes as molecular redox hosts for alkali metals: A density functional theory studyParvin Narimani, Zeinab Biglari, Mehdi SahihiJournal of Molecular Graphics & Modelling|December 6, 2011
Binding of TNT to amplifying fluorescent polymers: an ab initio and molecular dynamics studyMark A EnlowJournal of Molecular Graphics & Modelling|November 27, 2014
Interlayer charge-transfer in impacting the second hyperpolarizabilities: radical and cation species of hexathiophenalenylium and its nitro dimersLi Wang, Wen-Yong Wang, Na-Na Ma, et al.Journal of Molecular Graphics & Modelling|January 27, 2020
Borophene as an electronic sensor for metronidazole drug: A computational studyChi Xiao, Kun Ma, Guofeng Cai, et al.Journal of Molecular Graphics & Modelling|January 31, 2021
A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemicEric Duverger, Guillaume Herlem, Fabien PicaudJournal of Molecular Graphics & Modelling|May 7, 2023
Exploring the potential of antimalarial nanocarriers as a novel therapeutic approachRohitas DeshmukhPageof 408