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A restrained molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles.

Möglich, Andreas and Weinfurtner, Daniel and Maurer, Thilo and Gronwald, Werner and Kalbitzer, Hans-Robert (2005) A restrained molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles. BMC Bioinformatics 6 (91).

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Abstract

Background We have developed the program PERMOL for semi-automated homology modeling of proteins. It is based on restrained molecular dynamics using a simulated annealing protocol in torsion angle space. As main restraints defining the optimal local geometry of the structure weighted mean dihedral angles and their standard deviations are used which are calculated with an algorithm described ...

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Item Type:Article
Date:April 2005
Institutions:Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer
Projects:Graduiertenkolleg Nichtlinearität und Nichtgleichgewicht
Identification Number:
ValueType
10.1186/1471-2105-6-91DOI
Subjects:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Owner: Redakteur Physik
Deposited On:20 Mar 2007
Last Modified:13 Mar 2014 10:00
Item ID:1669
Owner Only: item control page

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