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Classical molecular dynamics simulations of human glutathione reductase complexed with NADPH and FAD

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DataCite Commons2024-03-21 更新2024-07-13 收录
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AMBER topologies, coordinates, input files and output files of MD simulations of the GR:FAD:NADPH complex (homodimeric form) considering Lys-66 in its neutral form and in its protonated form

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2024-03-15
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