Ontology highlight
ABSTRACT:
SUBMITTER: Pandey BP
PROVIDER: S-EPMC2253361 | biostudies-literature | 2005 Jul
REPOSITORIES: biostudies-literature
Pandey B P BP Zhang Chi C Yuan Xianzhang X Zi Jian J Zhou Yaoqi Y
Protein science : a publication of the Protein Society 20050701 7
We extended a mean-field model to proteins with all atomic detail. The all-atom mean-field model was used to calculate the dynamic and thermodynamic properties of a three-helix bundle fragment of Staphylococcal protein A (Protein Data Bank [PDB] ID 1BDD) and alpha-spectrin SH3 domain protein (PDB ID 1SHG). We show that a model with all-atomic detail provides a significantly more accurate prediction of flexibility of residues in proteins than does a coarse-grained residue-level model. The accurac ...[more]