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Journal of Molecular Modeling|May 6, 2022
Discovery of novel targets and mechanisms of MEK inhibitor Selumetinib for LGG treatment based on molecular docking and molecular dynamics simulationDongdong Zhang, Tieying Zhang, Jianbo Zhu, et al.Journal of Molecular Modeling|November 24, 2022
Diffusion coefficients of electrorheological complex (dusty) plasmasMuhammad Asif Shakoori, Maogang He, Aamir Shahzad, et al.Journal of Molecular Modeling|December 10, 2022
Quasi-planar Co atom-doped boron cluster: CoB192Qi Liang Lu, Xiao Dong Liu, Qi Quan Luo, et al.Journal of Molecular Modeling|October 17, 2020
Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysisRajat Kumar Jha, Rameez Jabeer Khan, Gizachew Muluneh Amera, et al.Journal of Molecular Modeling|October 14, 2020
Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum compositesXin-Ke Wang, Ying Zhao, Feng-Qi Zhao, et al.Journal of Molecular Modeling|October 22, 2020
The conformational change of Plukenetia conophora oil derivatives and their acidic resistance, intra-fragment interactions, stability in different solvent mediaAdebayo A Adeniyi, Cecilia O Akintayo, Emmanuel T Akintayo, et al.Journal of Molecular Modeling|October 15, 2020
Prediction of injection molding parameters for symmetric spur gearSandeep C Dhaduti, S G Sarganachari, Arun Y Patil, et al.Journal of Molecular Modeling|October 28, 2020
The antioxidant capacity of an imidazole alkaloids family through single-electron transfer reactionsAdriana Pérez-González, Erwin García-Hernández, Ernesto Chigo-AnotaJournal of Molecular Modeling|October 24, 2020
van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactionsTian Lu, Qinxue ChenJournal of Molecular Modeling|October 24, 2020
Computational study on the mechanism of the reaction of benzenesulfonyl azides with oxabicyclic alkenesDaniel Aboagye Akuamoah, Richard Tia, Evans AdeiPageof 708