Ontology highlight
ABSTRACT:
SUBMITTER: Frederix PW
PROVIDER: S-EPMC3688361 | biostudies-literature | 2011 Oct
REPOSITORIES: biostudies-literature
The journal of physical chemistry letters 20110902 19
Several short peptide sequences are known to self-assemble into supramolecular nanostructures with interesting properties. In this study, coarse-grained molecular dynamics is employed to rapidly screen all 400 dipeptide combinations and predict their ability to aggregate as a potential precursor to their self-assembly. The simulation protocol and scoring method proposed allows a rapid determination of whether a given peptide sequence is likely to aggregate (an indicator for the ability to self-a ...[more]