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MD simulation trajectories of HucSL dimer including wild-type and mutant proteins(E15A+I64A; I64A+L112A; E15A+I64A+L112A) in the presence of excess hydrogen and oxygen molecules. Preprint with details of the simulations and results can be found here: https://doi.org/10.1101/2022.10.09.511488.
Hydrogenase, Huc, Molecular dynamics
Hydrogenase, Huc, Molecular dynamics
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