Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications.

ABSTRACT: Post-translational modifications (PTMs) play a key role in numerous cellular processes by directly affecting structure, dynamics and interaction networks of target proteins. Despite their importance, our understanding of protein PTMs at the atomistic level is still largely incomplete. Molecular dynamics (MD) simulations, which provide high-resolution insight into biomolecular function and underlying mechanisms, are in principle ideally suited to tackle this problem. However, because of the challenges associated with the development of novel MD parameters and a general lack of suitable computational tools for incorporating PTMs in target protein structures, MD simulations of post-translationally modified proteins have historically lagged significantly behind the studies of unmodified protei

SUBMITTER: Margreitter C 

PROVIDER: S-EPMC3692090 | biostudies-literature | 2013 Jul

REPOSITORIES: biostudies-literature