Ontology highlight
ABSTRACT:
SUBMITTER: Zhou G
PROVIDER: S-EPMC7600393 | biostudies-literature | 2016 Feb
REPOSITORIES: biostudies-literature
Zhou Guangfeng G Voelz Vincent A VA
The journal of physical chemistry. B 20160201 5
Salt-bridge interactions play an important role in stabilizing many protein structures, and have been shown to be designable features for protein design. In this work, we study the effects of non-native salt bridges on the folding of a soluble alanine-based peptide (Fs peptide) using extensive all-atom molecular dynamics simulations performed on the Folding@home distributed computing platform. Using Markov State Models, we show how non-native salt-bridges affect the folding kinetics of Fs peptid ...[more]