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Deep mining of the protein energy landscape

For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physica...

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Autor principal: Wand, A. Joshua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Crystallographic Association 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147411/
https://www.ncbi.nlm.nih.gov/pubmed/37124940
http://dx.doi.org/10.1063/4.0000180
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author Wand, A. Joshua
author_facet Wand, A. Joshua
author_sort Wand, A. Joshua
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description For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physical states that proteins visit during their lifetimes. This Perspective focuses on the commonly neglected and often disparaged axis of the protein energy landscape: entropy. Initially seen largely as a barrier to functionally relevant states of protein molecules, it has recently become clear that proteins retain considerable conformational entropy in the “native” state, and that this entropy can and often does contribute significantly to the free energy of fundamental protein properties, processes, and functions. NMR spectroscopy, molecular dynamics simulations, and emerging crystallographic views have matured in parallel to illuminate dynamic disorder of the “ground state” of proteins and their importance in not only transiting between biologically interesting structures but also greatly influencing their stability, cooperativity, and contribution to critical properties such as allostery.
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spelling pubmed-101474112023-04-29 Deep mining of the protein energy landscape Wand, A. Joshua Struct Dyn Perspectives (Invited) For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physical states that proteins visit during their lifetimes. This Perspective focuses on the commonly neglected and often disparaged axis of the protein energy landscape: entropy. Initially seen largely as a barrier to functionally relevant states of protein molecules, it has recently become clear that proteins retain considerable conformational entropy in the “native” state, and that this entropy can and often does contribute significantly to the free energy of fundamental protein properties, processes, and functions. NMR spectroscopy, molecular dynamics simulations, and emerging crystallographic views have matured in parallel to illuminate dynamic disorder of the “ground state” of proteins and their importance in not only transiting between biologically interesting structures but also greatly influencing their stability, cooperativity, and contribution to critical properties such as allostery. American Crystallographic Association 2023-04-27 /pmc/articles/PMC10147411/ /pubmed/37124940 http://dx.doi.org/10.1063/4.0000180 Text en © 2023 Author(s). https://creativecommons.org/licenses/by/4.0/All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) ).
spellingShingle Perspectives (Invited)
Wand, A. Joshua
Deep mining of the protein energy landscape
title Deep mining of the protein energy landscape
title_full Deep mining of the protein energy landscape
title_fullStr Deep mining of the protein energy landscape
title_full_unstemmed Deep mining of the protein energy landscape
title_short Deep mining of the protein energy landscape
title_sort deep mining of the protein energy landscape
topic Perspectives (Invited)
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10147411/
https://www.ncbi.nlm.nih.gov/pubmed/37124940
http://dx.doi.org/10.1063/4.0000180
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