Molecular dynamics simulation data of regulatory ACT domain dimer of human phenylalanine hydroxylase (PAH)
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Raw data of molecular dynamics simulations of regulatory ACT domain dimer. <strong>binding.zip</strong>: simulation starting from 21 dimer conformations with 19 Phe ligand <strong>bound.zip</strong>: simulation starting from dimer with bound Phe ligand <strong>dimer.zip</strong>: simulation starting from 21 dimer conformations simulation Simulation setup files are also included in each folder. Details can be found in this paper: <strong>Yunhui Ge</strong>, Elias Borne, Shannon Stewart, Michael R. Hansen, Emilia C. Arturo, Eileen K. Jaffe and Vincent A. Voelz. <em>Simulation of the regulatory ACT domain of human PAH unveil the mechanism of phenylalanine binding.</em> J. Biol. Chem., 2018, 293(51), pp 19532-19543
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2020-05-01
