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.

Lecture #13332

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