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

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NIAID Data Ecosystem2026-05-02 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 50000 frames recorded every 20 ps.

创建时间:
2025-02-12
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