Protein folding with implicit crowders: a study of conformational states using the Wang-Landau method.


In this paper we introduce the idea of the implicit crowding method to study the statistical mechanical behaviors of folding of β-sheet peptides. Using a simple bead-lattice model, we are able to consider, separately, the conformational entropy involving the bond angles along the backbone and the orientational entropy associated with the dihedral angles. We… (More)
DOI: 10.1021/jp107809r