dorsal/arxiv
View SchemaProtein Structure Prediction: The Next Generation
| Authors | Michael C. Prentiss, Corey Hardin, Michael P. Eastwood, Chenghong Zong, Peter G. Wolynes |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0606012 |
| URL | https://arxiv.org/abs/q-bio/0606012 |
| DOI | 10.1021/ct0600058 |
| Journal | Journal of Chemical Theory and Computation, Volume 2 Issue 3 (May 09, 2006) |
Abstract
Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein structure prediction, in particular the development of coarse grained models. We survey results from blind structure prediction. We explore how second generation prediction energy functions can be developed by introducing information from an ensemble of previously simulated structures. This procedure relies on the assumption of a funnelled energy landscape keeping with the principle of minimal frustration. First generation simulated structures provide an improved input for associative memory energy functions in comparison to the experimental protein structures chosen on the basis of sequence alignment.
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"abstract": "Over the last 10-15 years a general understanding of the chemical reaction of\nprotein folding has emerged from statistical mechanics. The lessons learned\nfrom protein folding kinetics based on energy landscape ideas have benefited\nprotein structure prediction, in particular the development of coarse grained\nmodels. We survey results from blind structure prediction. We explore how\nsecond generation prediction energy functions can be developed by introducing\ninformation from an ensemble of previously simulated structures. This procedure\nrelies on the assumption of a funnelled energy landscape keeping with the\nprinciple of minimal frustration. First generation simulated structures provide\nan improved input for associative memory energy functions in comparison to the\nexperimental protein structures chosen on the basis of sequence alignment.",
"arxiv_id": "q-bio/0606012",
"authors": [
"Michael C. Prentiss",
"Corey Hardin",
"Michael P. Eastwood",
"Chenghong Zong",
"Peter G. Wolynes"
],
"categories": [
"q-bio.BM"
],
"doi": "10.1021/ct0600058",
"journal_ref": "Journal of Chemical Theory and Computation, Volume 2 Issue 3 (May\n 09, 2006)",
"title": "Protein Structure Prediction: The Next Generation",
"url": "https://arxiv.org/abs/q-bio/0606012"
},
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