Effective conformational search methods for biological macromolecules
The configuration space of many complex physical systems presents a rough energy landscape consisting of tremendous number of local minima separated by high energy barriers. One way to overcome these barriers is to perform the simulation in a generalized-ensemble where each state is weighted by a...
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| Дата: | 2007 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2007
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| Назва видання: | Физика низких температур |
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| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120928 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Effective conformational search methods for biological macromolecules / T. Çelik // Физика низких температур. — 2007. — Т. 33, № 9. — С. 1052–1054. — Бібліогр.: 9 назв. — англ. |
Репозиторії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1209282017-06-14T03:07:07Z Effective conformational search methods for biological macromolecules Çelik, T. International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" The configuration space of many complex physical systems presents a rough energy landscape consisting of tremendous number of local minima separated by high energy barriers. One way to overcome these barriers is to perform the simulation in a generalized-ensemble where each state is weighted by a non-Boltzmann probability weight factor. Multicanonical Ensemble Approach overcomes this difficulty by performing a random walk in one-dimensional energy space. Our attempts to design hybrid generalized ensemble algorithms will be reported. The folding of a protein into its native structure involves one or more transitions between distinct phases. The representation of the energy landscape would be useful for the determination of the conformational transition temperatures. Such a study would lead to clear indications of the equilibrium conformations of proteins and provide a detailed picture of the folding pathway. The topographic structure of energy landscape of short peptides will be presented. 2007 Article Effective conformational search methods for biological macromolecules / T. Çelik // Физика низких температур. — 2007. — Т. 33, № 9. — С. 1052–1054. — Бібліогр.: 9 назв. — англ. 0132-6414 PACS: 02.70.Uu, 82.20.Wt http://dspace.nbuv.gov.ua/handle/123456789/120928 en Физика низких температур Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" |
| spellingShingle |
International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" Çelik, T. Effective conformational search methods for biological macromolecules Физика низких температур |
| description |
The configuration space of many complex physical systems presents a rough energy landscape consisting
of tremendous number of local minima separated by high energy barriers. One way to overcome these
barriers is to perform the simulation in a generalized-ensemble where each state is weighted by a
non-Boltzmann probability weight factor. Multicanonical Ensemble Approach overcomes this difficulty by
performing a random walk in one-dimensional energy space. Our attempts to design hybrid generalized ensemble
algorithms will be reported. The folding of a protein into its native structure involves one or more
transitions between distinct phases. The representation of the energy landscape would be useful for the determination
of the conformational transition temperatures. Such a study would lead to clear indications of
the equilibrium conformations of proteins and provide a detailed picture of the folding pathway. The topographic
structure of energy landscape of short peptides will be presented. |
| format |
Article |
| author |
Çelik, T. |
| author_facet |
Çelik, T. |
| author_sort |
Çelik, T. |
| title |
Effective conformational search methods for biological macromolecules |
| title_short |
Effective conformational search methods for biological macromolecules |
| title_full |
Effective conformational search methods for biological macromolecules |
| title_fullStr |
Effective conformational search methods for biological macromolecules |
| title_full_unstemmed |
Effective conformational search methods for biological macromolecules |
| title_sort |
effective conformational search methods for biological macromolecules |
| publisher |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| publishDate |
2007 |
| topic_facet |
International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120928 |
| citation_txt |
Effective conformational search methods for biological macromolecules / T. Çelik // Физика низких температур. — 2007. — Т. 33, № 9. — С. 1052–1054. — Бібліогр.: 9 назв. — англ. |
| series |
Физика низких температур |
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AT celikt effectiveconformationalsearchmethodsforbiologicalmacromolecules |
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2023-10-18T20:38:25Z |
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2023-10-18T20:38:25Z |
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1796150733195706368 |