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Molecular Dynamics trajectory for ADK double mutant (V135G, V142G) - 100,000 frames - chain A in XTC format

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Figshare2025-06-11 更新2026-04-28 收录
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Molecular Dynamics trajectory in XTC format. Original wild-type structure from PDBID 4AKE. Mutations were inserted using PyRosetta. Simulation was run using GROMACS 2022.4 with the AMBER ff99SB*-ILDN force field. The file contains 100000 frames recorded every 10 ps.

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2025-06-11
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