This thesis examines nucleic acid folding processes using secondary structure models, which have the advantage that they may simulate behavior at long timescales. First, it verifies that Kinetic Monte Carlo can reproduce known behavior of biological riboswitches. Motivated by the results of that study, a new and general method for determining the effective barrier between local free energy minima is introduced. Finally, a general rate model is developed that greatly improves simulated agreement with measured dynamic properties by considering the energy of intermediates outside the state space of secondary structure.</p
In the context of the protein folding funnel and the energy landscape theory of protein folding, thi...
BackgroundRecent data have suggested two principles that are central to the work we describe here. F...
Motivation: This study presents a novel investigation of the effect of kinetic control on cotranslat...
enti tem the ns fol velo tion. We also need to understand how the metastable states induced riboswit...
AbstractWe report a new computational approach to the prediction of RNA secondary structure folding ...
International audienceThe folding path of a ribo-nucleic acid from its free form to its complete str...
We report a set of atomistic folding/unfolding simulations for the hairpin ribozyme using a monte ca...
The ability to fold into well-defined native conformation is a prerequisite for biologically functio...
It has recently been found that some RNA functions are determined by the actual folding kinetics and...
Barrier trees consisting of local minima and their connecting saddle points imply a natural coarse-g...
MOTIVATION: This study presents a novel investigation of the effect of kinetic control on cotranslat...
A multiscale simulation method of protein folding is proposed, using atomic representation of protei...
Models of nucleic acid thermal stability are calibrated to a wide range of experimental observations...
It has recently been found that some RNA functions are determined by the actual folding kinetics and...
The kinetics and thermodynamics of folding of a representative sequence of a 125-residue protein mod...
In the context of the protein folding funnel and the energy landscape theory of protein folding, thi...
BackgroundRecent data have suggested two principles that are central to the work we describe here. F...
Motivation: This study presents a novel investigation of the effect of kinetic control on cotranslat...
enti tem the ns fol velo tion. We also need to understand how the metastable states induced riboswit...
AbstractWe report a new computational approach to the prediction of RNA secondary structure folding ...
International audienceThe folding path of a ribo-nucleic acid from its free form to its complete str...
We report a set of atomistic folding/unfolding simulations for the hairpin ribozyme using a monte ca...
The ability to fold into well-defined native conformation is a prerequisite for biologically functio...
It has recently been found that some RNA functions are determined by the actual folding kinetics and...
Barrier trees consisting of local minima and their connecting saddle points imply a natural coarse-g...
MOTIVATION: This study presents a novel investigation of the effect of kinetic control on cotranslat...
A multiscale simulation method of protein folding is proposed, using atomic representation of protei...
Models of nucleic acid thermal stability are calibrated to a wide range of experimental observations...
It has recently been found that some RNA functions are determined by the actual folding kinetics and...
The kinetics and thermodynamics of folding of a representative sequence of a 125-residue protein mod...
In the context of the protein folding funnel and the energy landscape theory of protein folding, thi...
BackgroundRecent data have suggested two principles that are central to the work we describe here. F...
Motivation: This study presents a novel investigation of the effect of kinetic control on cotranslat...