## Journal Menu

► Journal Menu# Special Issue "Configurational Entropy"

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 |

## 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

- Gibbs Paradox and Its Resolutions in
*Entropy*(9 articles)

## Journal Contact

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entropy@mdpi.com

Tel. +41 61 683 77 34

Fax: +41 61 302 89 18

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*Entropy*