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Journal of Molecular Graphics & Modelling|June 9, 2015
How the cation-cation π-π stacking occurs: A theoretical investigation into ionic clusters of imidazoliumWei Gao, Yong Tian, Xiaopeng XuanJournal of Molecular Graphics & Modelling|May 22, 2015
Phase-transition properties of glycerol-dipalmitate lipid bilayers investigated using molecular dynamics simulationMonika Laner, Philippe H HünenbergerJournal of Molecular Graphics & Modelling|July 20, 2015
Effects of imidazolium-based ionic liquids on the stability and dynamics of gramicidin A and lipid bilayers at different salt concentrationsHwankyu Lee, Sun Min Kim, Tae-Joon JeonJournal of Molecular Graphics & Modelling|August 26, 2025
In silico design of endothelin receptor antagonists using Monte Carlo-based QSAR modeling, molecular docking, and ADME profilingMarija Marinković, Nemanja Nikolić, Tamara Nikolić, et al.Journal of Molecular Graphics & Modelling|October 27, 2019
In silico screening of antigenic B-cell derived T-cell epitopes and designing of a multi-epitope peptide vaccine for Acinetobacter nosocomialisRida Sajjad, Sajjad Ahmad, Syed Sikander AzamJournal of Molecular Graphics & Modelling|April 18, 2020
Permanganyl chloride-mediated oxidation of tetramethylethylene: A density functional theory studyAlbert Aniagyei, Caroline Kwawu, Richard Tia, et al.Journal of Molecular Graphics & Modelling|April 18, 2020
Construction of atomic models of full hepatitis B vaccine particles at different stages of maturationLaurent Berthier, Olivier Brass, Gilbert Deleage, et al.Journal of Molecular Graphics & Modelling|August 23, 2025
Identification of novel non-covalent Mpro inhibitors against SARS-CoV-2 by the computational and experimental approachesChaochun Wei, Keli Zong, Wei Li, et al.Journal of Molecular Graphics & Modelling|June 17, 2015
Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptorJesús M Planesas, Violeta I Pérez-Nueno, José I Borrell, et al.Journal of Molecular Graphics & Modelling|July 20, 2015
Theoretical study of the hydrolysis mechanism of 2-pyrone-4,6-dicarboxylate (PDC) catalyzed by LigIShujun Zhang, Guangcai Ma, Yongjun Liu, et al.Pageof 408