Nature. 1986 Jan 16-22;319(6050):199-203.

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.

PMID:: 3945310; [PubMed - indexed for MEDLINE]

Publication Types, MeSH Terms

Publication Types

MeSH Terms

LinkOut - more resources

Full Text Sources

Other Literature Sources

COS Scholar Universe

Supplemental Content

Save items

Related citations in PubMed

Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation. [Proteins. 2004]
Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.
Pei J, Wang Q, Zhou J, Lai L. Proteins. 2004 Dec 1; 57(4):651-64.
Atomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling. [BMC Struct Biol. 2007]
Atomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling.
Rakhmanov SV, Makeev VJ. BMC Struct Biol. 2007 Mar 30; 7:19. Epub 2007 Mar 30.
Conformational analysis of endothelin-1: effects of solvation free energy. [Biopolymers. 1995]
Conformational analysis of endothelin-1: effects of solvation free energy.
Hempel JC, Fine RM, Hassan M, Ghoul W, Guaragna A, Koerber SC, Li Z, Hagler AT. Biopolymers. 1995 Sep; 36(3):283-301.
Review Empirical potentials and functions for protein folding and binding. [Curr Opin Struct Biol. 1997]
Review Empirical potentials and functions for protein folding and binding.
Vajda S, Sippl M, Novotny J. Curr Opin Struct Biol. 1997 Apr; 7(2):222-8.
Review Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods. [Curr Med Chem. 2004]
Review Free energy of ligand binding to protein: evaluation of the contribution of water molecules by computational methods.
Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A. Curr Med Chem. 2004 Dec; 11(23):3093-118.

See reviews... See all...

Cited by over 100 PubMed Central articles

Protein-protein docking with F(2)Dock 2.0 and GB-rerank. [PLoS One. 2013]
Protein-protein docking with F(2)Dock 2.0 and GB-rerank.
Chowdhury R, Rasheed M, Keidel D, Moussalem M, Olson A, Sanner M, Bajaj C. PLoS One. 2013; 8(3):e51307. Epub 2013 Mar 6.
New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms. [J Cheminform. 2013]
New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms.
Choi H, Kang H, Park H. J Cheminform. 2013 Feb 4; 5(1):8. Epub 2013 Feb 4.
A simple method for predicting transmembrane proteins based on wavelet transform. [Int J Biol Sci. 2013]
A simple method for predicting transmembrane proteins based on wavelet transform.
Yu B, Zhang Y. Int J Biol Sci. 2013; 9(1):22-33. Epub 2012 Dec 19.

See all...

Related information

Related Citations
Calculated set of PubMed citations closely related to the selected article(s) retrieved using a word weight algorithm. Related articles are displayed in ranked order from most to least relevant, with the “linked from” citation displayed first.
Cited in PMC
Full-text articles in the PubMed Central Database that cite the current articles.

Recent activity

Clear Turn Off Turn On

Solvation energy in protein folding and binding.
Solvation energy in protein folding and binding.
Nature. 1986 Jan 16-22 ;319(6050):199-203.

PubMed

Your browsing activity is empty.

Activity recording is turned off.

Turn recording back on

PubMed

Result Filters

Display Settings:

Send to: