Calculation of the Free Energy and Cooperativity of Protein Folding

Alex Kentsis; Tatyana Gindin; Mihaly Mezei; Roman Osman

doi:10.1371/journal.pone.0000446

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Research Article

Calculation of the Free Energy and Cooperativity of Protein Folding

Alex Kentsis ,

*To whom correspondence should be addressed. E-mail: alex.kentsis@childrens.harvard.edu.

Current address: Department of Medicine, Children's Hospital Boston, Harvard Medical School, Boston, Massachusetts, United States of America

Affiliation Department of Molecular Physiology and Biophysics, Mount Sinai School of Medicine, New York University, New York, New York, United States of America
⨯
Tatyana Gindin,

Affiliation Department of Molecular Physiology and Biophysics, Mount Sinai School of Medicine, New York University, New York, New York, United States of America
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Mihaly Mezei,

Affiliation Department of Molecular Physiology and Biophysics, Mount Sinai School of Medicine, New York University, New York, New York, United States of America
⨯
Roman Osman

Affiliation Department of Molecular Physiology and Biophysics, Mount Sinai School of Medicine, New York University, New York, New York, United States of America
⨯

Calculation of the Free Energy and Cooperativity of Protein Folding

Alex Kentsis,
Tatyana Gindin,
Mihaly Mezei,
Roman Osman

Published: May 16, 2007
https://doi.org/10.1371/journal.pone.0000446

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REMC to study the thermodynamics of folding

Posted by dsingh on 27 Jun 2007 at 16:31 GMT

In all, these studies establish the extent of thermodynamic and structural pre-organization of folding of this model globular protein, and achieve the calculation of macromolecular stability ab initio, as required for ab initio structure prediction, genome annotation, and drug design.
http://plosone.org/article/info:doi/10.1371/journal.pone.0000446#article1.front1.article-meta1.abstract1.p1

Uses replica exchange techniques to look at protein folding thermodynamics and cooperative interactions

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Calculation of the Free Energy and Cooperativity of Protein Folding

Calculation of the Free Energy and Cooperativity of Protein Folding

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REMC to study the thermodynamics of folding

Posted by dsingh on 27 Jun 2007 at 16:31 GMT