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 Energy Storage, Conversion And Utilization
 Energy Planning, Policy And Economy
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Determining the role of hydration forces in protein folding
Authors:
Sorenson, J.M. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]
Hura, G. [Univ. of California, Berkeley, CA (United States)]|[Lawrence Berkeley National Lab., CA (United States). Life Sciences Div.]
Soper, A.K. [Rutherford Appleton Lab., Didcot (United Kingdom). ISIS Facility]
Pertsemlidis, A. [Univ. of Texas Southwestern Medical Center, Dallas, TX (United States). Dept. of Biochemistry]
Head-Gordon, T. [Lawrence Berkeley National Lab., CA (United States)]
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| Abstract: One of the primary issues in protein folding is determining what forces drive folding and eventually stabilize the native state. A delicate balance exists between electrostatic forces such as hydrogen bonding and salt bridges, and the hydrophobic effect, which are present for both intramolecular protein interactions and intermolecular contributions with the surrounding aqueous environment. This article describes a combined experimental, theoretical, and computational effort to show how the complexity of aqueous hydration can influence the structure, folding and aggregation, and stability of model protein systems. The unification of the theoretical and experimental work is the development or discovery of effective amino acid interactions that implicitly include the effects of aqueous solvent. The authors show that consideration of the full range of complexity of aqueous hydration forces such as many-body effects, long-ranged character of aqueous solvation, and the assumptions made about the degree of protein hydrophobicity can directly impact the observed structure, folding, and stability of model protein systems. |
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| Publication Date: |
01 Jul 1999
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| DOE Contract number: |
AC03-76SF00098
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| Resource Type: |
Journal Article
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| Resource Relation: |
Journal of Physical Chemistry B: Materials, Surfaces, Interfaces, amp Biophysical ; VOL. 103 ; ISSUE: 26 ; PBD: 1 Jul 1999
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| Sponsoring Organizations: |
National Science Foundation, Washington, DC (United States);USDOE, Washington, DC (United States);National Insts. of Health, Bethesda, MD (United States)
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| Country of Publication: |
United States
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| Language: |
English
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Keywords relating to this report: 