Jakob Schluttig

Me
Status Undergraduate, Diploma Thesis
Topic Molecular Mechanics of Coarse-Grained Protein Models
Abteilung CQT
Supervisors Prof. Dr. Wolfhard Janke, Dr. Michael Bachmann
Room 2L14
Phone 97-32453
Email jakob.schluttig[at]itp.uni-leipzig.de

Description of the Diploma Project

ground state of a 55mer, AB-model

The understanding of the kinetics of protein folding is one of the key problems in biomolecular research. Since molecular dynamics (MD) simulations of realistic protein models incorporating all atoms and the interaction with the solvent is extremely exhaustive and cannot be performed over the relevant timescales, usually Markov dynamics in Monte Carlo (MC) simulations is studied instead.

In this project it shall be tried to compare statistics and dynamics for strongly simplified, coarse-grained protein models by performing MD and MC simulations. Two main questions are apparent:

  • Is MD capable to produce correct canonical statistics?
  • Is the path to fold obtained with MC simulations comparable to what is seen with MD simulations?

Downloads

(1314kB) Theoretikum: 'Heisenbergmodell' (german)
(704kB) Report: 'A parallel cluster algorithm for Monte Carlo simulations applied to model DNA systems' (english) Guest student program 'Wissenschaftliches Rechnen', ZAM, FZ Juelich 2004
(474kB) Poster: 'A Parallel Cluster Algorithm Applied to Model DNA Systems' (english) 69. Annual Meeting of the Deutsche Physikalische Gesellschaft (DPG) 2005
(9341kB) Diploma thesis: 'Molecular Mechanics of Coarse-Grained Protein Models' (english)

Miscellaneous

my private homepage
a drum'n'bass project i'm involved in
a tiny program for "COarse gRAined proteinE Visualization"
Another tiny program that automatically generates sources for parsing specific input files. Small german documentation included.

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