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Faraday Discussions

Discussion summary and research papers from discussion meetings that focus on rapidly developing areas of chemistry


Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics

Corresponding authors
School of Chemistry, University of Bristol, Bristol BS8 1TS, UK
E-mail: drglowacki@gmail.com
Department of Computer Science, University of Bristol, Bristol BS8 1UB, UK
Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, UK
Faraday Discuss., 2016,195, 395-419

DOI: 10.1039/C6FD00138F
Received 23 May 2016, Accepted 28 Jun 2016
First published online 28 Jun 2016
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

This article is part of themed collection: Reaction Rate Theory
Open Access
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