Temperature Random Walk Sampling of Protein Configurations

Authors

Ulrich H.E. Hansmann, Michigan Technological University

Document Type

Article

Publication Date

4-1-2010

Department

Department of Physics

Abstract

We study generalizations of parallel tempering, also known as replica exchange method, that aim at maximizing the sampling of independent low energy configurations through enforcing random walks in temperature (or other control variables). The advantage of these techniques is the easily tunable high acceptance rate for replica exchange. Simulating the villin headpiece HP-36, we evaluate the efficiency of our techniques, and present criteria for its tuning.

Publisher's Statement

© 2009 Elsevier B.V. All rights reserved.

Publication Title

Physica A: Statistical Mechanics and its Applications

Recommended Citation

Hansmann, U. (2010). Temperature Random Walk Sampling of Protein Configurations. Physica A: Statistical Mechanics and its Applications, 389(7), 1400-1404. http://doi.org/10.1016/j.physa.2009.12.027
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/6982