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Development of parameters compatible with the CHARMM36 force field for [Fe 4 S 4 ] 2+ clusters and molecular dynamics simulations of adenosine-5â-phosphosulfate reductase in GROMACS 2019
da Silva, Talis Uelisson, Pougy, Karina de Carvalho, Albuquerque, Magaly Girão, da Silva Lima, Camilo Henrique, Machado, Sérgio de PaulaJournal:
Journal of Biomolecular Structure and Dynamics
DOI:
10.1080/07391102.2020.1847687
Date:
November, 2020
File:
PDF, 2.19 MB
2020