Molecular dynamics simulation data of regulatory ACT domain monomer of human phenylalanine hydroxylase (PAH)
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资源简介：
Raw data of molecular dynamics simulations of regulatory ACT domain monomer. <strong>binding.zip</strong>: simulation starting from 21 monomer conformations with 19 Phe ligand <strong>bound.zip</strong>: simulation starting from monomer with bound Phe ligand <strong>monomer_only.zip</strong>: simulation starting from 21 monomer conformations simulation Simulation setup files are also included in each folder. Adaptive sampling data are also included in <strong>monomer </strong>and <strong>binding</strong> simulations. 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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Temple University创建时间：
2020-05-01
