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Computational insights into the binding pattern of mitochondrial calcium uniporter inhibitor through homology modeling, molecular dynamics simulation, binding free energy prediction and density functional theory calculation.
Duan N, Gao Z, Hu B, Ge D, Li W, Ye T, Geng X, Li X. Duan N, et al. Among authors: gao z. J Biomol Struct Dyn. 2020 Oct;38(17):5095-5107. doi: 10.1080/07391102.2019.1695674. Epub 2019 Nov 27. J Biomol Struct Dyn. 2020. PMID: 31755365
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