Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

A. Rubinstein, R. F. Sabirianov, W. N. Mei, F. Namavar, A. Khoynezhad

Research output: Contribution to journalArticle

13 Scopus citations

Abstract

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Original languageEnglish (US)
Article number021915
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume82
Issue number2
DOIs
StatePublished - Aug 18 2010

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach'. Together they form a unique fingerprint.

  • Cite this