Dynamics of S-phase kinase protein 1 (Skp1)

Secondary structure states of residues 2-159 of human Skp1 protein extracted from 1000.6ns molecular dynamics simulation to identify critical residues for secondary structure transition of helix8 from helix to coil.Simulations were performed using GROMACS2022, CHARMM36m forcefield. As this is an ongoing project awaiting publication, simulation trajectory and further details are available on request.

本数据集涵盖从1000.6纳秒分子动力学模拟（molecular dynamics simulation）中提取的人源Skp1蛋白残基2-159的二级结构状态，旨在鉴定螺旋8从螺旋向无规卷曲转变的关键残基。本模拟采用GROMACS2022软件与CHARMM36m力场完成。因本项目尚在进行待发表阶段，模拟轨迹及更多细节可应要求提供。