Short Peptide Self-Assembly in the Martini Coarse-Grain Force Field Family.

ABSTRACT: Pivotal to the success of any computational experiment is the ability to make reliable predictions about the system under study and the time required to yield these results. Biomolecular interactions is one area of research that sits in every camp of resolution vs the time required, from the quantum mechanical level to in vivo studies. At an approximate midpoint, there is coarse-grained molecular dynamics, for which the Martini force fields have become the most widely used, fast enough to simulate the entire membrane of a mitochondrion though lacking atom-specific precision. While many force fields have been parametrized to account for a specific system under study, the Martini force field has aimed at casting a wider net with more generalized bead types that have demonstrated suita

SUBMITTER: van Teijlingen A 

PROVIDER: S-EPMC10035038 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature