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Journal of Molecular Graphics & Modelling|June 26, 1998
Comparative molecular modeling study of the three-dimensional structures of prostaglandin endoperoxide H2 synthase 1 and 2 (COX-1 and COX-2)M Filizola, J J Perez, A Palomer, et al.Journal of Molecular Graphics & Modelling|April 15, 2020
Molecular dynamics of the membrane interaction and localisation of prodigiosinAarti Ravindran, Sharmila Anishetty, Gautam PennathurJournal of Molecular Graphics & Modelling|August 16, 2016
A comparative theoretical study of CO oxidation reaction by O2 molecule over Al- or Si-decorated graphene oxideMehdi D Esrafili, Fahimeh Sharifi, Parisa NematollahiJournal of Molecular Graphics & Modelling|March 10, 2023
Methane C-H bond heterolysis versus homolysis on Cu-MFI and Au-MFIMahnoor Sajid, Basharat Khan, Nasir ShahzadJournal of Molecular Graphics & Modelling|January 29, 2023
A quantum mechanistic insight into the chemo- and regio-selective [3 + 2]-cycloaddition reaction of aryl hetaryl thioketones with diazoalkanes and nitrile oxide derivativesGabriel Amankwah, Isaac Ofori, Joshua Atta-Kumi, et al.Journal of Molecular Graphics & Modelling|February 25, 2023
Electronic properties and adsorption mechanism of Ru-doped copper clusters towards CH3OH molecule: A DFT investigationMouhssin Boulbazine, Abdel-Ghani BoudjahemJournal of Molecular Graphics & Modelling|April 23, 2015
Theoretical investigation of the interaction between aromatic sulfur compounds and [BMIM](+)[FeCl4](-) ionic liquid in desulfurization: A novel charge transfer mechanismHongping Li, Wenshuai Zhu, Yonghui Chang, et al.Journal of Molecular Graphics & Modelling|July 20, 2016
Identification of phenoxyacetamide derivatives as novel DOT1L inhibitors via docking screening and molecular dynamics simulationMinghao Luo, Hui Wang, Yi Zou, et al.Journal of Molecular Graphics & Modelling|August 27, 2025
Targeting Hsp27 inhibition in Glioblastoma: A comprehensive in silico investigationEmmanuel Amarachi Iwuchukwu, Ikechukwu AchilonuJournal of Molecular Graphics & Modelling|March 16, 2010
Molecular docking and molecular dynamics simulation studies of GPR40 receptor-agonist interactionsShao-Yong Lu, Yong-Jun Jiang, Jing Lv, et al.Pageof 407