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Protein folding of the H0P model: A parallel Wang-Landau study...

by Guangjie Shi, Thomas Wuest, Ying Wai Li, David Landau
Publication Type
Conference Paper
Journal Name
Journal of Physics: Conference Series
Publication Date
Page Number
012017
Volume
640
Conference Name
XXVI IUPAP Conference on Computational Physics, CCP2014
Conference Location
Boston, Massachusetts, United States of America
Conference Date
-

We propose a simple modi cation to the hydrophobic-polar (HP) protein model, by introducing a new type of monomer, "0", with intermediate hydrophobicity of some amino acids between H and P. With the replica-exchange Wang-Landau sampling method, we investigate some widely studied HP sequences as well as their H0P counterparts and observe that the H0P sequences exhibit dramatically reduced ground state degeneracy and more signi cant transition signals at low temperature for some thermodynamic properties, such as the specifi c heat.