Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
RMSD analyses based on the Cα atoms for a) protein GB3 system (PDB: 2IGD) and b) HP7 peptide (PDB: 2EVQ), using the original Drude-2013 protein FF (Drude-2013, in black), Drude-2013 with optimized backbone parameters only (Drude-2013-opt-backbone, in green), and final optimized Drude-2019 protein FF (Drude-2019, in blue). Structures obtained at the end of the simulations are shown in cyan, indicated with the corresponding colored arrows.
