Modeling of Protein Folding and Genetic Networks
Author
Summary, in English
Models for potein folding are developed and applied to peptides and small proteins with both α-helix and β-sheet structure. The energy functions, in which effective hydrophobicity forces and hydrogen bonds are taken to be the two central terms, are sequence-based and deliberately kept simple.
The geometric representations of the protein chains are, by contrast, detailed and have torsion angles as the degrees of freedom. The thermodynamic properties of the models are studied using Monte Carlo methods and quantitative comparisons with experiments are carried out. To improve the sampling of compact states, a semi-local Monte Carlo update in the backbone torsion angles is developed. In addition, the thesis includes a study of a simple model for genetic networks, the Kauffman model.
The geometric representations of the protein chains are, by contrast, detailed and have torsion angles as the degrees of freedom. The thermodynamic properties of the models are studied using Monte Carlo methods and quantitative comparisons with experiments are carried out. To improve the sampling of compact states, a semi-local Monte Carlo update in the backbone torsion angles is developed. In addition, the thesis includes a study of a simple model for genetic networks, the Kauffman model.
Publishing year
2003
Language
English
Document type
Dissertation
Publisher
Department of Theoretical Physics, Lund University
Topic
- Biophysics
Keywords
- Matematisk och allmän teoretisk fysik
- thermodynamics
- two-state folding
- Protein folding
- all-atom model
- Mathematical and general theoretical physics
- Kauffman model.
- local update
- Monte Carlo
- classical mechanics
- quantum mechanics
- relativity
- statistical physics
- gravitation
- klassisk mekanik
- kvantmekanik
- relativitet
- statistisk fysik
- termodynamik
- Fysicumarkivet A:2003:Sjunnesson
Status
Published
Supervisor
- [unknown] [unknown]
ISBN/ISSN/Other
- ISBN: 91-628-5783-5
Defence date
3 October 2003
Defence time
13:15
Defence place
Lecture Hall F, Dept. of Theoretical Physics
Opponent
- Ugo Bastolla