Inference of the solvation energy parameters of amino acids using maximum entropy approach.
J Chem Phys
; 129(3): 035102, 2008 Jul 21.
Article
em En
| MEDLINE
| ID: mdl-18647046
ABSTRACT
We present a novel technique, based on the principle of maximum entropy, for deriving the solvation energy parameters of amino acids from the knowledge of the solvent accessible areas in experimentally determined native state structures as well as high quality decoys of proteins. We present the results of detailed studies and analyze the correlations of the solvation energy parameters with the standard hydrophobic scale. We study the ability of the inferred parameters to discriminate between the native state structures of proteins and their decoy conformations.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Solventes
/
Entropia
/
Aminoácidos
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2008
Tipo de documento:
Article
País de afiliação:
Estados Unidos