Ontology highlight
ABSTRACT:
SUBMITTER: Tozzini V
PROVIDER: S-EPMC2600716 | biostudies-literature | 2006
REPOSITORIES: biostudies-literature
Tozzini Valentina V Rocchia Walter W McCammon J Andrew JA
Journal of chemical theory and computation 20060101 3
In the one and two beads Coarse Grained (CG) models for proteins, the two conformational dihedrals ϕ and ψ that describe the backbone geometry are no longer present as explicit internal coordinates, thus the information contained in the Ramachandran plot cannot be used directly. We derive an analytical mapping between these dihedrals and the internal variable describing the backbone conformation in the one(two) beads CG models, namely the pseudo-bond angle and pseudo-dihedral between subsequent ...[more]