Ontology highlight
ABSTRACT:
SUBMITTER: Lee IH
PROVIDER: S-EPMC4592707 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Lee In-Ho IH Kim Seung-Yeon SY Lee Jooyoung J
BioMed research international 20150920
We present the folding pathway model of mini-protein BBA5, a bundle of secondary structures, α-helix and β-hairpin, by using action-derived molecular dynamics (ADMD) simulations. From ten independent ADMD simulations, we extracted common features of the folding pathway of BBA5, from which we found that the early stage chain compaction was followed by the formation of C-terminal α-helix. The N-terminal β-hairpin was observed to form only after α-helix was stabilized. This result is in good agreem ...[more]