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Parametrization of backbone-electrostatic and multibody contributions to the UNRES force field for protein-structure prediction from Ab initio energy surfaces of model systems

Authors :
Liwo, Adam
Oldziej, Stanislaw
Czaplewski, Cezary
Kozlowska, Urszula
Scheraga, Harold
Source :
Journal of Physical Chemistry B. July 8, 2004, Vol. 108 Issue 27, p9421, 18 p.
Publication Year :
2004

Abstract

Multibody terms pertaining to the correlation between electrostatic interaction in the UNRES force field were reparameterized on relevant model systems. The resultant force field predicted the structures of proteins with alpha and beta structure.

Details

Language :
English
ISSN :
15206106
Volume :
108
Issue :
27
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.122841222