Ontology highlight
ABSTRACT:
SUBMITTER: Ren H
PROVIDER: S-EPMC3859311 | biostudies-literature | 2013 Nov
REPOSITORIES: biostudies-literature
Ren Hao H Lai Zaizhi Z Biggs Jason D JD Wang Jin J Mukamel Shaul S
Physical chemistry chemical physics : PCCP 20131101 44
We report a combined molecular dynamics (MD) and ab initio simulation study of the ultrafast broadband ultraviolet (UV) stimulated resonance Raman (SRR) spectra of the Trp-cage mini protein. Characteristic two dimensional (2D) SRR features of various folding states are identified. Structural fluctuations erode the cross peaks and the correlation between diagonal peaks is a good indicator of the α-helix formation. ...[more]