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

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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Bibliographic Details
Main Author: Bonanata, Jenner (author)
Format: dataset
Published: 2024
Subjects:
Online Access:https://doi.org/10.60895/redata/9YLQFE
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