Molecular Dynamics trajectory for ADK double mutant (V135G, V142G) - chain A in XTC format
收藏DataCite Commons2025-02-12 更新2025-04-09 收录
下载链接：
https://brunel.figshare.com/articles/dataset/Molecular_Dynamics_trajectory_for_ADK_double_mutant_V135G_V142G_-_chain_A_in_XTC_format/28375940
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资源简介：
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.
提供机构：
Brunel University London
创建时间：
2025-02-12
