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Journal of Molecular Graphics & Modelling|July 9, 2021
Energetic and structural basis for the differences in infectivity between the wild-type and mutant spike proteins of SARS-CoV-2 in the Mexican populationMartiniano Bello, Md Kamrul Hasan, Nazmul HussainJournal of Molecular Graphics & Modelling|June 13, 2021
Molecular simulation of nano polyhedral oligomeric silsesquioxane doping effect on the properties of two-component crosslinked epoxy resinJun Xie, Chaoxuan Xiao, Lei Zhang, et al.Journal of Molecular Graphics & Modelling|June 14, 2021
Regio- and stereoselectivity of the [3+2] cycloaddition of nitrones with methyl-acetophenone: A DFT investigationMohamed Oussama Zouaghi, Mohamed Yassine Doggui, Youssef ArfaouiJournal of Molecular Graphics & Modelling|June 14, 2021
Molecular dynamics simulation for membrane separation and porous materials: A current state of art reviewArash Mollahosseini, Amira AbdelrasoulJournal of Molecular Graphics & Modelling|May 22, 2022
Modification of benzoindenothiophene-based organic dye with fused thiophenes for efficient dye-sensitized solar cellsSheng Fan, Zhao-Rong Sun, Hua Shi, et al.Journal of Molecular Graphics & Modelling|May 13, 2022
Molecular insights into the heterogeneous crystal growth of tetrahydrofuran hydrate: Kinetic and interfacial propertiesFarzane Ebrahimian, Kiana Peyvandi, Farshad VaraminianJournal of Molecular Graphics & Modelling|May 26, 2023
Host-guest coupling to potentially increase the bio-accessibility of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea by nanocarrier graphyne for brain tumor therapy, a comprehensive quantum mechanics studyMaroof Ahmad Khan, Shehwas Kalsoom, Ali Raza Ayub, et al.Journal of Molecular Graphics & Modelling|April 23, 2023
Designing of anthracene-arylamine hole transporting materials for organic and perovskite solar cellsAlvina Rasool, Muhammad Ans, Lamia Abu El Maati, et al.Journal of Molecular Graphics & Modelling|April 1, 1997
Applications of the PM3 semi-empirical method to the study of triethylenediamineJ Mancuso, R J McEachernJournal of Molecular Graphics & Modelling|April 1, 1997
A molecular field-based similarity approach to pharmacophoric pattern recognitionJ Mestres, D C Rohrer, G M MaggioraPageof 401