BRCA1 p.Met1783Thr MD Trajectories and Simulation Data
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资源简介：
Molecular dynamics trajectory files (GROMACS, CHARMM36m force field) for wild-type and p.Met1783Thr mutant BRCA1 BRCT domain (PDB 1JNX), supporting the structural reassessment reported in the associated manuscript. Includes an initial exploratory run (old_run/) and a matched confirmatory rebuild (new_run/, primary dataset), each with three production replicates per system plus equilibration (NVT/NPT) trajectories.
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Zenodo创建时间：
2026-09-27
