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 i...
Збережено в:
| Опубліковано в: : | Физика низких температур |
|---|---|
| Дата: | 2007 |
| Автор: | |
| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2007
|
| Теми: | |
| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/120928 |
| Теги: |
Додати тег
Немає тегів, Будьте першим, хто поставить тег для цього запису!
|
| 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. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1860249390321500160 |
|---|---|
| author | Çelik, T. |
| author_facet | Çelik, T. |
| 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. |
| collection | DSpace DC |
| container_title | 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.
|
| first_indexed | 2025-12-07T18:41:05Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-120928 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 0132-6414 |
| language | English |
| last_indexed | 2025-12-07T18:41:05Z |
| publishDate | 2007 |
| publisher | Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України |
| record_format | dspace |
| spelling | Çelik, T. 2017-06-13T10:35:12Z 2017-06-13T10:35:12Z 2007 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 https://nasplib.isofts.kiev.ua/handle/123456789/120928 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. en Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України Физика низких температур International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" Effective conformational search methods for biological macromolecules Article published earlier |
| spellingShingle | Effective conformational search methods for biological macromolecules Çelik, T. International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" |
| title | 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_short | Effective conformational search methods for biological macromolecules |
| title_sort | effective conformational search methods for biological macromolecules |
| topic | International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" |
| topic_facet | International Conference "Statistical Physics 2006. Condensed Matter: Theory and Application" |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/120928 |
| work_keys_str_mv | AT celikt effectiveconformationalsearchmethodsforbiologicalmacromolecules |