遇见数据集

GPR183 Active, Inactive, and Nluc Molecular Dynamics Trajectories (Part 2)

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Zenodo2026-05-18 更新2026-05-29 收录
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This dataset contains molecular dynamics (MD) simulation trajectories for WT (7TUZ) and A338V (7TUY, Nluc) GPR183 receptor systems in different conformational states. Three independent trajectories (dyn1, dyn2, dyn3) were generated for each system, with each trajectory covering 200 ns of simulation time. PDB ID: 7TUY_A338V – Inactive A338V GPR183 MD simulations (dyn1, dyn2, dyn3; 200 ns each) PDB ID: 7TUZ_WT – Active WT MD simulations (dyn1, dyn2, dyn3; 200 ns each) Nluc A338V GPR183 – A338V GPR183 fused with NanoLuc (Nluc) MD simulations (dyn1, dyn2, dyn3; 200 ns each)

本数据集包含不同构象状态下野生型(WT,PDB编号7TUZ)与A338V突变型(7TUY,带纳米荧光素酶(NanoLuc,Nluc)标签)GPR183受体体系的分子动力学(MD)模拟轨迹。每个体系均生成3条独立轨迹(dyn1、dyn2、dyn3),单条轨迹的模拟时长为200纳秒。 PDB编号7TUY_A338V:非活性状态A338V型GPR183的分子动力学模拟(轨迹为dyn1、dyn2、dyn3,单条时长200 ns) PDB编号7TUZ_WT:活性状态野生型GPR183的分子动力学模拟(轨迹为dyn1、dyn2、dyn3,单条时长200 ns) Nluc标记A338V GPR183:与纳米荧光素酶(NanoLuc,Nluc)融合的A338V型GPR183的分子动力学模拟(轨迹为dyn1、dyn2、dyn3,单条时长200 ns)

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创建时间:
2026-05-18
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