Chicken villin subdomain HP-35, N68H, pH6.7 (1YRF) the shortest folding trajectory obtained with GPA* algorithm (run 1). This is the best conformation according to the AND_H metric.
GPA* metrics: RMSD, Dihedral angles, Contact map (AND, AND_H, XOR)
MD package: GROMACS 2019.3
Force field: CHARM36-nov2018
Temperature : 300 K
Simulation step: 20 ps
Shortest RMSD from the NMR structure: 2.833 Å
Contact Ivan Syzonenko or Joshua L. Phillips @ MTSU for more information.

0 Comments