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Stochastic Dynamical Systems and Control |
| March 26, 2007 to March 30, 2007 |
| Organized By: Jonathan Mattingly (Duke), Igor Mezic (UCSB-Chair), Andrew Stuart (Warwick) |
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| Parent Programs: |
| Dynamical Systems |
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| Return to Workshop Description |
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Simulation studies for protein structure prediction
Thursday March 29, 2007
11:30AM - 12:00PM
Speakers:
Gelonia Dent
Abstract:
Structure refinement is an important step in improving the accuracy of predicting protein structures. We focused on
using molecular dynamics simulations coupled with a replica exchange method to achieve a more thorough
Search of the conformation space. We conducted an extensive benchmark study to assess the accuracy of the
technique on a subset of structures from the Fifth International Critical Assessment for Protein Structure
Prediction Experiments (CASP5). In this talk, I will cover the method and preliminary results for its application to a
vaccinia virus protein.
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