dorsal/arxiv
View SchemaHydration Water Dynamics and Instigation of Protein Structural Relaxation
| Authors | Daniela Russo, Greg Hura, Teresa Head-Gordon |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0310013 |
| URL | https://arxiv.org/abs/q-bio/0310013 |
Abstract
The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use quasi-elastic neutron scattering (QENS) and molecular dynamics simulation to investigate hydration water dynamics near a greatly simplified protein surface. We consider the hydration water dynamics near the completely deuterated N-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side chain attached to a polar blocked polypeptide backbone, as a function of concentration between 0.5M-2.0M, under ambient conditions. In this Communication, we focus our results of hydration dynamics near a model protein surface on the issue of how enzymatic activity is restored once a critical hydration level is reached, and provide a hypothesis for the molecular mechanism of the solvent motion that is required to trigger protein structural relaxation when above the hydration transition.
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"abstract": "The molecular mechanism of the solvent motion that is required to instigate\nthe protein structural relaxation above a critical hydration level or\ntransition temperature has yet to be determined. In this work we use\nquasi-elastic neutron scattering (QENS) and molecular dynamics simulation to\ninvestigate hydration water dynamics near a greatly simplified protein surface.\nWe consider the hydration water dynamics near the completely deuterated\nN-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side\nchain attached to a polar blocked polypeptide backbone, as a function of\nconcentration between 0.5M-2.0M, under ambient conditions. In this\nCommunication, we focus our results of hydration dynamics near a model protein\nsurface on the issue of how enzymatic activity is restored once a critical\nhydration level is reached, and provide a hypothesis for the molecular\nmechanism of the solvent motion that is required to trigger protein structural\nrelaxation when above the hydration transition.",
"arxiv_id": "q-bio/0310013",
"authors": [
"Daniela Russo",
"Greg Hura",
"Teresa Head-Gordon"
],
"categories": [
"q-bio.BM"
],
"title": "Hydration Water Dynamics and Instigation of Protein Structural Relaxation",
"url": "https://arxiv.org/abs/q-bio/0310013"
},
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