TY - JOUR
T1 - How does a β-hairpin fold/unfold? Competition between topology and heterogeneity in a solvable model
AU - Guo, Chinlin
AU - Levine, Herbert
AU - Kessler, David A.
PY - 2000/9/26
Y1 - 2000/9/26
N2 - We study the competition between topological effects and sequence inhomogeneities in determining the thermodynamics and the un/folding kinetics of a β-hairpin. Our work utilizes a new exactly solvable model that allows for arbitrary configurations of native contacts. In general, the competition between heterogeneity and topology results in a crossover of the dominant transition state. Interestingly, near this crossover, the single reaction coordinate picture can be seriously misleading. Our results also suggest that inferring the folding pathway from unfolding simulations is not always justified.
AB - We study the competition between topological effects and sequence inhomogeneities in determining the thermodynamics and the un/folding kinetics of a β-hairpin. Our work utilizes a new exactly solvable model that allows for arbitrary configurations of native contacts. In general, the competition between heterogeneity and topology results in a crossover of the dominant transition state. Interestingly, near this crossover, the single reaction coordinate picture can be seriously misleading. Our results also suggest that inferring the folding pathway from unfolding simulations is not always justified.
UR - http://www.scopus.com/inward/record.url?scp=0034718550&partnerID=8YFLogxK
U2 - 10.1073/pnas.190103297
DO - 10.1073/pnas.190103297
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
C2 - 10995462
AN - SCOPUS:0034718550
SN - 0027-8424
VL - 97
SP - 10775
EP - 10779
JO - Proceedings of the National Academy of Sciences of the United States of America
JF - Proceedings of the National Academy of Sciences of the United States of America
IS - 20
ER -