Category: Molecular dynamics

Marco S. Nobile, Associate Professor with the Ca' Foscari University of Venice, Italy

New paper on Scientific Reports

Self-assembling peptides can be useful for clinical applications, for instance as scaffolds based on beta-sheets motifs. The dynamic evolution and self-assemly of peptide systems can be investigated in silico by using molecular dynamics. In particular, coarse-grained simulation exploiting MARTINI force fields can strongly reduce the overall running time and still provide useful information. In a …