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Journal of Molecular Graphics & Modelling|February 17, 2020
A computational study on the BN-yne sheet application in the Na-ion batteriesAli Moalla, Maziar Noei, Fereydoon Khazali, et al.Journal of Molecular Graphics & Modelling|February 6, 2020
Characterisation of a catalytic triad and reaction selectivity in the dual mechanism of the catalyse hydride transfer in xylitol phosphate dehydrogenaseSiti Aisyah Razali, Mohd Shahir ShamsirJournal of Molecular Graphics & Modelling|February 7, 2020
Identification of potential natural neuroprotective molecules for Parkinson's disease by using chemoinformatics and molecular dockingPaola Rondón-Villarreal, William Omar Contreras LópezJournal of Molecular Graphics & Modelling|February 7, 2020
Push-pull nitronates in the [3+2] cycloaddition with nitroethylene: Molecular Electron Density Theory studyAgnieszka Kącka-ZychJournal of Molecular Graphics & Modelling|February 26, 2020
Investigation of potential anti-pneumococcal effects of l-sulforaphane and metabolites: Insights from synchrotron-FTIR microspectroscopy and molecular docking studiesJulia Liang, Anita Mantelos, Zheng Quan Toh, et al.Journal of Molecular Graphics & Modelling|March 7, 2020
Effect of Piedmont mutation (L34V) on the structure, dynamics, and aggregation of Alzheimer's Aβ40 peptideRajneet Kaur Saini, Hema Thakur, Bhupesh GoyalJournal of Molecular Graphics & Modelling|January 27, 2020
Optimization of CHARMM force field parameters of a prostate cancer drug enzalutamideSefer BadayJournal of Molecular Graphics & Modelling|June 13, 2021
A theoretical study of supramolecular aggregation of polydopamine tetramer subunits in aqueous solutionJanchai Yana, Natthiti Chiangraeng, Piyarat Nimmanpipug, et al.Journal of Molecular Graphics & Modelling|January 18, 2014
MDWiZ: a platform for the automated translation of molecular dynamics simulationsVictor H Rusu, Vitor A C Horta, Bruno A C Horta, et al.Journal of Molecular Graphics & Modelling|January 18, 2014
Models for H₃ receptor antagonist activity of sulfonylurea derivativesNaveen Khatri, A K MadanPageof 408