dorsal/arxiv
View SchemaCharacteristic Temperatures of Folding of a Small Peptide
| Authors | Ulrich H. E. Hansmann, Masato Masuya, Yuko Okamoto |
|---|---|
| Categories | |
| ArXiv ID | physics/9806016 |
| URL | https://arxiv.org/abs/physics/9806016 |
| DOI | 10.1073/pnas.94.20.10652 |
| Journal | Proc. Nat. Aca. Sci. U.S.A. 94 (1997) 10652-10656 |
Abstract
We perform a generalized-ensemble simulation of a small peptide taking the interactions among all atoms into account. From this simulation we obtain thermodynamic quantities over a wide range of temperatures. In particular, we show that the folding of a small peptide is a multi-stage process associated with two characteristic temperatures, the collapse temperature T_{\theta} and the folding temperature T_f. Our results give supporting evidence for the energy landscape picture and funnel concept. These ideas were previously developed in the context of studies of simplified protein models, and here for the first time checked in an all-atom Monte Carlo simulation.
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"abstract": "We perform a generalized-ensemble simulation of a small peptide taking the\ninteractions among all atoms into account. From this simulation we obtain\nthermodynamic quantities over a wide range of temperatures. In particular, we\nshow that the folding of a small peptide is a multi-stage process associated\nwith two characteristic temperatures, the collapse temperature T_{\\theta} and\nthe folding temperature T_f. Our results give supporting evidence for the\nenergy landscape picture and funnel concept. These ideas were previously\ndeveloped in the context of studies of simplified protein models, and here for\nthe first time checked in an all-atom Monte Carlo simulation.",
"arxiv_id": "physics/9806016",
"authors": [
"Ulrich H. E. Hansmann",
"Masato Masuya",
"Yuko Okamoto"
],
"categories": [
"physics.chem-ph",
"physics.bio-ph",
"q-bio"
],
"doi": "10.1073/pnas.94.20.10652",
"journal_ref": "Proc. Nat. Aca. Sci. U.S.A. 94 (1997) 10652-10656",
"title": "Characteristic Temperatures of Folding of a Small Peptide",
"url": "https://arxiv.org/abs/physics/9806016"
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