Internal force field in proteins seen by divergence entropy

The characteristic distribution of non-binding interactions in a protein is described. It establishes that hydrophobic interactions can be characterized by suitable 3D Gauss functions while electrostatic interactions generally follow a random distribution. The implementation of this observation sugg...

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Detalles Bibliográficos
Autores principales: Marchewka, Damian, Banach, Mateusz, Roterman, Irena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2011
Materias:
Hypothesis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3134777/
https://www.ncbi.nlm.nih.gov/pubmed/21769190
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author Marchewka, Damian
Banach, Mateusz
Roterman, Irena
author_facet Marchewka, Damian
Banach, Mateusz
Roterman, Irena
author_sort Marchewka, Damian
collection PubMed
description The characteristic distribution of non-binding interactions in a protein is described. It establishes that hydrophobic interactions can be characterized by suitable 3D Gauss functions while electrostatic interactions generally follow a random distribution. The implementation of this observation suggests differentiated optimization procedure for these two types of interactions. The electrostatic interaction may follow traditional energy optimization while the criteria for convergence shall measure the accordance with 3-D Gauss function.
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spelling pubmed-31347772011-07-18 Internal force field in proteins seen by divergence entropy Marchewka, Damian Banach, Mateusz Roterman, Irena Bioinformation Hypothesis The characteristic distribution of non-binding interactions in a protein is described. It establishes that hydrophobic interactions can be characterized by suitable 3D Gauss functions while electrostatic interactions generally follow a random distribution. The implementation of this observation suggests differentiated optimization procedure for these two types of interactions. The electrostatic interaction may follow traditional energy optimization while the criteria for convergence shall measure the accordance with 3-D Gauss function. Biomedical Informatics 2011-07-06 /pmc/articles/PMC3134777/ /pubmed/21769190 Text en © 2011 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Hypothesis
Marchewka, Damian
Banach, Mateusz
Roterman, Irena
Internal force field in proteins seen by divergence entropy
title Internal force field in proteins seen by divergence entropy
title_full Internal force field in proteins seen by divergence entropy
title_fullStr Internal force field in proteins seen by divergence entropy
title_full_unstemmed Internal force field in proteins seen by divergence entropy
title_short Internal force field in proteins seen by divergence entropy
title_sort internal force field in proteins seen by divergence entropy
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3134777/
https://www.ncbi.nlm.nih.gov/pubmed/21769190
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AT banachmateusz internalforcefieldinproteinsseenbydivergenceentropy
AT rotermanirena internalforcefieldinproteinsseenbydivergenceentropy

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