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.