Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

Gabrielle Stetz; Gennady M. Verkhivker

doi:10.1371/journal.pone.0143752

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Peer-reviewed

Research Article

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

Gabrielle Stetz,

Affiliation Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California, United States of America
⨯
Gennady M. Verkhivker

* E-mail: verkhivk@chapman.edu

Affiliations Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California, United States of America, Chapman University School of Pharmacy, Irvine, California, United States of America
⨯

Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins

Gabrielle Stetz,
Gennady M. Verkhivker

Published: November 30, 2015
https://doi.org/10.1371/journal.pone.0143752

About the Authors

Gabrielle Stetz

Affiliation Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California, United States of America

Gennady M. Verkhivker

* E-mail: verkhivk@chapman.edu

Affiliations Graduate Program in Computational and Data Sciences, Schmid College of Science and Technology, Chapman University, Orange, California, United States of America, Chapman University School of Pharmacy, Irvine, California, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: GV. Performed the experiments: GS GV. Analyzed the data: GS GV. Contributed reagents/materials/analysis tools: GS GV. Wrote the paper: GV.

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Crystal structure
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DNA structure
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Centrality
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Free energy
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Nucleotides
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Allosteric regulation
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Protein structure
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Biochemical simulations
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