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University of Idaho
Department of Physics
PO Box 440903
Moscow, ID 83844-0903
(208) 885-6380
physics@uidaho.edu
 

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Computational and Theoretical Molecular Biophysics


The Ytreberg group is interested in two broad research areas:
  1. Developing new computational and theoretical techniques for physics and biophysics
  2. Using computer simulation to understand properties of, and interactions between, biomolecules and nanomaterials
                    
 
SPECIFIC PROJECTS

Determining the mechanisms for adaptive protein evolution.  The central idea is to determine how protein-protein and protein-ligand interactions change when amino acids mutate due to evolution.  The long-term goal is to understand, and eventually predict, the effect of amino acid changes that occur during evolution.

Determining realistic structural ensembles for intrinsically unstructured proteins.  The central idea is to combine the use of experimental NMR data with computer simulation to determine protein structures that are likely to be most important to the ensemble.

Development of free energy methodologies.  We are interested in non-equilibrium methods based on the Jarzynski equality.  We are especially interested in whether such non-equilibrium techniques can be more efficient than other more established equilibrium methods.  We are also interested in using free energy data in such a way that uncertainty and bias are reduced.  This has led to the development of several software in the group.

Maximizing the hydrogen storage capacity for nanosprings.  The central idea is to understand how hydrogen molecules interact with nanosprings.  The long-term goal is to use this knowledge to determine how to increase the hydrogen storage capacity of nanospring systems.


Contact Prof. Ytreberg ytreberg -at- uidaho.edu if you are interested in learning more about the research opportunities in the group.

 
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