Skip navigation
Skip navigation

Charge transfer effects in the GroEL-GroES chaperonin tetramer in solution

Anisimov, Victor M; Bliznyuk, Andrei

Description

In this work, we present the results of a large-scale, semiempirical LocalSCF quantum mechanical study of GroEL-GroES chaperonin in solution containing 2-481-723 atoms. We find that large biological systems exhibit strong quantum mechanical character, the extent of which was not previously known. Our data show that protein transfers -743 electron units of charge to solvent, which is not described by classical force fields. Contrary to the commonly held belief, which is based on classical...[Show more]

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
URI: http://hdl.handle.net/1885/64712
Source: Journal of Physical Chemistry B
DOI: 10.1021/jp211385e

Download

File Description SizeFormat Image
01_Anisimov_Charge_transfer_effects_in_the_2012.pdf3.85 MBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator