Molecular Dynamics of a Protein Surface: Ion-Residues Interactions From: Biophysical Journal | Date: August 1, 2005| Author: Friedman, Ran; Nachliel, Esther; Gutman, Menachem | Copyright Biophysical Society Aug 2005. Provided by ProQuest LLC.Copyright information

ABSTRACT

Time-resolved measurements indicated that protons could propagate on the surface of a protein or a membrane by a special mechanism that enhanced the shuttle of the proton toward a specific site. It was proposed that a suitable location of residues on the surface contributes to the proton shuttling function. In this study, this notion was further investigated by the use of molecular dynamics simulations, where Na+ and Cl- are the ions understudy, thus avoiding the necessity for...

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