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Dissertation
Protein Folding Simulations: Confinement, External Fields and Sequence Design
(2010-04-08)
The present Thesis looks at the problem of protein
folding using Monte Carlo and Langevin simulations, three topics in protein
folding have been studied: 1) the effect of confining potential barriers,
2) the effect
of a static external field and 3) the design of amino acid sequences which fold
in a short time and which have a stable native state (global minimum).
Regarding the first topic, we studied the confinement of a small protein
of 16 amino acids known as 1NJ0 (PDB code) which has a beta-sheet ...
Dissertation
Theory of laser-induced ultrafast structural changes in solids
(2010-04-21)
The present thesis is a contribution to the study of laser-solid interaction.
Despite the numerous applications resulting from the recent use of laser technology, there is still a lack of satisfactory answers to theoretical questions regarding the mechanism leading to the structural changes induced by femtosecond lasers in materials.
We provide here theoretical approaches for the description of the structural response of different solids (cerium, samarium sulfide, bismuth and germanium) to femtosecond laser ...