Title

Sampling protein energy landscapes - The quest for efficient algorithms

Document Type

Article

Publication Date

1-1-2011

Abstract

© Springer Science+Business Media, LLC 2011. All rights reserved. Computer simulations aim to become virtual microscopes that can probe the working of cells on a molecular level. One of the remaining obstacles is still poor sampling. This chapter reviews strategies for faster sampling and discusses their limitations. Recent applications to protein folding document the utility of the described techniques.

Publication Title

Multiscale Approaches to Protein Modeling: Structure Prediction, Dynamics, Thermodynamics and Macromolecular Assemblies

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