This is the public archive with ID e68d0a42fd41c38d462b9afa7b75e937 created
on 2023-01-04 11:44:19 by Francesco Pesce, BIO <francesco.pesce@bio.ku.dk>.
Archive Meta Data
Author(s)
Francesco Pesce
Title
PBMetaD simulations of Histatin5 with a99SB-disp at different temperatures
Description
Molecular dynamics simulations of the 24 residues peptide Histatin 5. Simulations are performed at 283 K, 293 K, 310 K and 323 K with the a99SB-disp force field and its water. Parallel-bias metadynamics is used to accelerate the sampling of the radius of gyration and of backbone dihedrals.
