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

Möglich, Andreas and Weinfurtner, Daniel and Maurer, Till and Gronwald, Wolfram and Kalbitzer, Hans Robert (2005) A restraint molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles. BMC bioinformatics 6, p. 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:2005
Additional information (public):online-Ressource
Institutions:Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer
Identification Number:
ValueType
11373627PubMed ID
10.1186/1471-2105-6-91DOI
Classification:
NotationType
AlgorithmsMESH
Bacterial Proteins/geneticsMESH
Computational Biology/methodsMESH
Computer GraphicsMESH
Computer SimulationMESH
Crystallography, X-RayMESH
Databases, ProteinMESH
Enterococcus faecalis/metabolismMESH
Escherichia coli/metabolismMESH
Histidine/chemistryMESH
HumansMESH
Hydrogen BondingMESH
Magnetic Resonance SpectroscopyMESH
Models, ChemicalMESH
Models, MolecularMESH
Models, StatisticalMESH
Models, TheoreticalMESH
Molecular ConformationMESH
PPAR gamma/geneticsMESH
Phosphoenolpyruvate Sugar Phosphotransferase System/geneticsMESH
Protein ConformationMESH
Protein FoldingMESH
Protein Structure, SecondaryMESH
Sequence Analysis, ProteinMESH
SoftwareMESH
Subjects:500 Science > 570 Life sciences
Status:Published
Refereed:Unknown
Created at the University of Regensburg:Unknown
Owner: Gertraud Kellers
Deposited On:17 Sep 2010 06:33
Last Modified:17 Sep 2010 06:33
Item ID:16625
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