LiGaMD3 simulations for antibodies-bound GC-A
收藏Figshare2025-10-14 更新2026-04-08 收录
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https://figshare.com/articles/dataset/LiGaMD3_simulations_for_antibodies-bound_GC-A/29508899/3
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资源简介：
Topology file: sys.parm7 (AMBER format)Initial coordinate file without lipid, ions and water: sys-protein.pdbLiGaMD3 equilibration input file: md.inLiGaMD3 production input file: md-restart.inLiGaMD3 representative comformation file: representative_intermediate_conformational_state_of_ANP.pdbFinal snapshot of LiGaMD3 simulations (800ns):run1-LiGaMD3-800ns.pdb (simulation 1)run2-LiGaMD3-800ns.pdb (simulation 2)run3-LiGaMD3-800ns.pdb (simulation 3)MD trajectory of LiGaMD3 simulations (800 ns with stride 1000 ps/frame):run1-LiGaMD3-stride1000ps.nc (simulation 1)run2-LiGaMD3-stride1000ps.nc (simulation 2)run3-LiGaMD3-stride1000ps.nc (simulation 3)
提供机构：
Xiao, Fu; Wang, Jinan
创建时间：
2025-10-14
