Exploiting the potential energy landscape to sample free energy-Reference-Cited by-同舟云学术

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Exploiting the potential energy landscape to sample free energy

Published:2015-03-20 Issue:3 Volume:5 Page:273-289
ISSN:1759-0876
Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Ballard Andrew J.¹,Martiniani Stefano¹,Stevenson Jacob D.¹,Somani Sandeep¹²,Wales David J.¹

Affiliation:

1. Department of Chemistry; University Chemical Labs; Cambridge UK

2. Discovery Sciences, Janssen Research & Development LLC; Spring House PA USA

Funder

European Research Council

Engineering and Physical Sciences Research Council

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Reference96 articles.

1. Smart walking: a new method for Boltzman sampling of protein conformations;Zhou;J Chem Phys,1997

2. New Monte Carlo algorithms for protein folding

3. Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

4. Direct dynamical calculation of entropy and free energy by adiabatic switching

5. Smart darting Monte Carlo;Andricioaei;J Chem Phys,2001

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