Special Issue "Configurational Entropy"

Guest Editor
Dr. Vladimir Hnizdo
National Institute for Occupational Safety and Health, Morgantown, West Virginia 26505, USA
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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.

Vladimir Hnizdo, Ph. D.
Guest Editor

Related Special Issues in other Journals

Gibbs Paradox and Its Resolutions in Entropy

Submission

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Entropy is an international peer-reviewed Open Access monthly journal published by MDPI.

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• 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