uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Proteins in Vacuo: Molecular dynamics studies of hen egg white lysozyme submitted to unfolding and relaxation conditions
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
1999 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Electrically neutral and charged lysozyme molecules were studied with molecular dynamics (MD) techniques. Denaturation and renaturation conditions were simulated for the system in vacuo. Experimental observations of biomolecules in vacuo were related to the conformational space accessible under unfolding-relaxation conditions.

The native form of lysozyme and a disulfide reduced form were both submitted to two types of unfolding perturbations: i) centrifugal forces, and ii) Coulombic repulsion. Some of the obtained conformations compared well with compact and extended conformations found in gasphase experiments under different conditions.

Additionally, intermediates isolated from the centrifugal unfolding runs of lysozyme in vacuo, were relaxed by removing the applied perturbation. A series of renaturationlike simulations were carried out. The richness of structural elements found in the conformational space of the relaxed molecules permits discussing some aspects of the folding problem. The simulation results on disulfide-intact and disulfide-reduced lysozyme models suggest that lysozyme undergoes a folding process in vacuo.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis , 1999. , 34 p.
Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1104-232X ; 420
Keyword [en]
Keyword [sv]
National Category
Physical Sciences
Research subject
Physical Chemistry
URN: urn:nbn:se:uu:diva-937ISBN: 91-554-4376-1OAI: oai:DiVA.org:uu-937DiVA: diva2:172836
Public defence
1999-02-15, room 4040, Kemikum, Uppsala University, Uppsala, 10:15
Available from: 1999-01-25 Created: 1999-01-25Bibliographically approved

Open Access in DiVA

No full text
Buy this publication >>

By organisation
Department of Physical Chemistry
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 48 hits
ReferencesLink to record
Permanent link

Direct link