Solvation energy in protein folding and binding.

Abstract:

:We have developed a method for calculating the stability in water of protein structures, starting from their atomic coordinates. The contribution of each protein atom to the solvation free energy is estimated as the product of the accessibility of the atom to solvent and its atomic solvation parameter. Applications of the method include estimates of the relative stability of different protein conformations, estimates of the free energy of binding of ligands to proteins and atomic-level descriptions of hydrophobicity and amphiphilicity.

journal_name

Nature

journal_title

Nature

authors

Eisenberg D,McLachlan AD

doi

10.1038/319199a0

subject

Has Abstract

pub_date

1986-01-16 00:00:00

pages

199-203

issue

6050

eissn

0028-0836

issn

1476-4687

journal_volume

319

pub_type

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