Ontology highlight
ABSTRACT:
SUBMITTER: Hao GF
PROVIDER: S-EPMC4616061 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Hao Ge-Fei GF Xu Wei-Fang WF Yang Sheng-Gang SG Yang Guang-Fu GF
Scientific reports 20151023
Protein and peptide structure predictions are of paramount importance for understanding their functions, as well as the interactions with other molecules. However, the use of molecular simulation techniques to directly predict the peptide structure from the primary amino acid sequence is always hindered by the rough topology of the conformational space and the limited simulation time scale. We developed here a new strategy, named Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) to identi ...[more]