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Journal of Molecular Graphics & Modelling|July 20, 2024
Water dissociation and COOH formation on Fe modified Cu(100) surface: A density functional theory studyAkhtar Hussain, Saqib Javaid
Journal of Molecular Graphics & Modelling|November 17, 2023
A repository of COVID-19 related molecular dynamics simulations and utilisation in the context of nsp10-nsp16 antiviralsJulia J Liang, Eleni Pitsillou, Andrew Hung, et al.
Journal of Molecular Graphics & Modelling|September 12, 2023
A coarse-grained Molecular Dynamics study of phase behavior in Co-assembled lipomimetic oligopeptidesSrinivas Mushnoori, Chien Y Lu, Kassandra Schmidt, et al.
Journal of Molecular Graphics & Modelling|September 3, 2023
Effect of water addition on caprylic acid: Quaternary ammonium salts (QAS) deep eutectic solvents: Characterization of their structural and dynamical propertiesSamaneh Barani Pour, Mitra Dabbagh Hosseini Pour, Jaber Jahanbin Sardroodi, et al.
Journal of Molecular Graphics & Modelling|September 3, 2023
A DFT study on the probability of using the heteroatom decorated graphitic carbonitride (g-C3N4) species for delivering of three novel Multiple sclerosis drugsChou-Yi Hsu, Hussein Riyadh Abdul Kareem Al-Hetty, H A Alsailawi, et al.
Journal of Molecular Graphics & Modelling|September 3, 2023
Interactive molecular dynamics in virtual reality for modelling materials and catalystsJoe Crossley-Lewis, Josh Dunn, Corneliu Buda, et al.
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