Dataset - ACSC Molecular Simulation Data Repository

CYP199A4-F182L in complex with 4-phenylbenzoic acid

CYP199A4-F182L in complex with 4-phenylbenzoic acid with FF14SB+TIP3P in AMBER (replicate 1 of 4). https://doi.org/10.1002/chem.202201895
- mdin
- nc
- ncrst
- out
- prmtop
- inpcrd

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