Ontology highlight
ABSTRACT:
SUBMITTER: Talavera D
PROVIDER: S-EPMC2242413 | biostudies-literature | 2006 Nov
REPOSITORIES: biostudies-literature
Protein science : a publication of the Protein Society 20060925 11
A fast method for the calculation of residue contributions to protein solvation is presented. The approach uses the exposed polar and apolar surface of protein residues and has been parametrized from the fractional contributions to solvation determined from linear response theory coupled to molecular dynamics simulations. Application of the method to a large subset of proteins taken from the Protein Data Bank allowed us to compute the expected fractional solvation of residues. This information i ...[more]