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

Bonanata, Jenner

Resumen:

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

Detalles Bibliográficos
2024
Chemistry
Medicine, Health and Life Sciences
Physics
Molecular dynamics simulations
Molecular mechanics
Protein dynamics
Agencia Nacional de Investigación e Innovación
REDATA
https://doi.org/10.60895/redata/9YLQFE
Acceso abierto