Fep1d: A Script for the Analysis of Reaction Coordinates

Banushkina, PV and Krivov, SV (2015) Fep1d: A Script for the Analysis of Reaction Coordinates. Journal of Computational Chemistry, 36 (12). pp. 878-882. ISSN 0192-8651

Abstract

Metadata

Authors/Creators:
  • Banushkina, PV
  • Krivov, SV
Copyright, Publisher and Additional Information: (c) 2015, Wiley Periodicals, Inc. This is the peer reviewed version of the following article: Banushkina, PV and Krivov, SV (2015) Fep1d: A Script for the Analysis of Reaction Coordinates. Journal of Computational Chemistry, 36 (12). pp. 878-882, which has been published in final form at http://dx.doi.org/10.1002/jcc.23868. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
Keywords: reaction coordinate; free energy profile; diffusion; cut free energy profile; dimensionality reduction
Dates:
  • Accepted: 30 January 2015
  • Published (online): 25 February 2015
  • Published: 5 May 2015
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Biological Sciences (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 18 Apr 2016 11:00
Last Modified: 03 Feb 2018 21:42
Published Version: http://dx.doi.org/10.1002/jcc.23868
Status: Published
Publisher: Wiley
Identification Number: https://doi.org/10.1002/jcc.23868
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