Special Issue "Configurational Entropy"

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A special issue of Entropy (ISSN 1099-4300).

Deadline for manuscript submissions: closed (30 April 2010)

Special Issue Editor

Guest Editor
Dr. Vladimir Hnizdo
National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
E-Mail: vbh5@cdc.gov

Special Issue Information

Dear Colleagues,

Changes in the configurational part of entropy contribute significantly to the free energy of conformational change and binding in biomolecular systems. In particular, the change in configurational entropy is an important determinant of the energetics of the binding affinity in receptor-ligand systems. However, calculating the configurational entropy of complex non-harmonic systems is a highly challenging problem in need of innovative approaches to a practicable solution. Recently, information-theoretic methods and nonparametric statistical methods have been brought to bear on the problem of estimating configurational entropy from molecular simulations. This special issue of Entropy will provide a forum for contributions on both theoretical and computational aspects of the entropic characteristics of complex systems.

Dr. Vladimir Hnizdo
Guest Editor

Keywords

  • configurational entropy or configuration entropy
  • configurational free energy
  • entropy of mixing
  • entropy
  • thermodynamics
  • statistical mechanics
  • information theory
  • mutual information
  • nearest neighbor
  • complex systems
  • dimension reduction
  • many-body correlations
  • non-Gaussian correlations
  • molecular simulations
  • receptor-ligand binding

Related Special Issue

Published Papers (11 papers)

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Displaying article 1-11
p. 1946-1974
by  and
Entropy 2010, 12(8), 1946-1974; doi:10.3390/e12081946
Received: 12 June 2010; in revised form: 2 August 2010 / Accepted: 17 August 2010 / Published: 25 August 2010
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(This article belongs to the Special Issue Configurational Entropy)
p. 1303-1324
by  and
Entropy 2010, 12(5), 1303-1324; doi:10.3390/e12051303
Received: 10 March 2010; in revised form: 18 May 2010 / Accepted: 19 May 2010 / Published: 25 May 2010
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(This article belongs to the Special Issue Configurational Entropy)
p. 1125-1144
by ,  and
Entropy 2010, 12(5), 1125-1144; doi:10.3390/e12051125
Received: 26 February 2010; Accepted: 29 April 2010 / Published: 6 May 2010
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(This article belongs to the Special Issue Configurational Entropy)
p. 983-995
by , ,  and
Entropy 2010, 12(4), 983-995; doi:10.3390/e12040983
Received: 2 March 2010; in revised form: 10 April 2010 / Accepted: 17 April 2010 / Published: 23 April 2010
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(This article belongs to the Special Issue Configurational Entropy)
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p. 578-590
by  and
Entropy 2010, 12(3), 578-590; doi:10.3390/e12030578
Received: 17 December 2009; in revised form: 27 February 2010 / Accepted: 2 March 2010 / Published: 16 March 2010
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(This article belongs to the Special Issue Configurational Entropy)
p. 667-674
by
Entropy 2009, 11(4), 667-674; doi:10.3390/e11040667
Received: 2 September 2009; Accepted: 26 October 2009 / Published: 29 October 2009
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(This article belongs to the Special Issue Configurational Entropy)
p. 391-410
by
Entropy 2008, 10(4), 391-410; doi:10.3390/e10040391
Received: 15 August 2008; in revised form: 24 September 2008 / Accepted: 24 September 2008 / Published: 6 October 2008
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p. 334-364
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Entropy 2008, 10(3), 334-364; doi:10.3390/e10030334
Received: 31 July 2008; in revised form: 9 September 2008 / Accepted: 22 September 2008 / Published: 24 September 2008
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(This article belongs to the Special Issue Configurational Entropy)
p. 274-284
by  and
Entropy 2008, 10(3), 274-284; doi:10.3390/e10030274
Received: 24 July 2008; in revised form: 10 September 2008 / Accepted: 15 September 2008 / Published: 20 September 2008
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(This article belongs to the Special Issue Configurational Entropy)
p. 207-223
by
Entropy 2008, 10(3), 207-223; doi:10.3390/entropy-e10030207
Received: 24 June 2008; in revised form: 20 August 2008 / Accepted: 20 August 2008 / Published: 26 August 2008
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(This article belongs to the Special Issue Configurational Entropy)
p. 183-199
by  and
Entropy 2008, 10(3), 183-199; doi:10.3390/entropy-e10030183
Received: 28 July 2008; in revised form: 19 August 2008 / Accepted: 19 August 2008 / Published: 23 August 2008
Show/Hide Abstract | Cited by 6 | PDF Full-text (392 KB)
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Last update: 7 August 2014

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