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https://hdl.handle.net/20.500.11851/6872
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Baştuğ, Turgut | - |
dc.contributor.author | Kuyucak, Serdar | - |
dc.date.accessioned | 2021-09-11T15:44:00Z | - |
dc.date.available | 2021-09-11T15:44:00Z | - |
dc.date.issued | 2009 | en_US |
dc.identifier.issn | 0006-3495 | - |
dc.identifier.issn | 1542-0086 | - |
dc.identifier.uri | https://doi.org/10.1016/j.bpj.2009.02.041 | - |
dc.identifier.uri | https://hdl.handle.net/20.500.11851/6872 | - |
dc.description.abstract | A dihedral energy correction (CMAP) term has been recently included in the CHARMM force field to obtain a more accurate description of the peptide backbone. Its importance in improving dynamical properties of proteins and preserving their stability in long molecular-dynamics simulations has been established for several globular proteins. Here we investigate its role in maintaining the structure and function of two potassium channels, Shaker K(v)1.2 and KcsA, by performing molecular-dynamics simulations with and without the CMAP correction in otherwise identical systems. We show that without CMAP, it is not possible to maintain the experimentally observed orientations of the carbonyl groups in the selectivity filter in Shaker, and the channel loses its selectivity property. In the case of KcsA, the channel retains some selectivity even without CMAP because the carbonyl orientations are relatively better preserved compared to Shaker. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Cell Press | en_US |
dc.relation.ispartof | Biophysical Journal | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | [No Keywords] | en_US |
dc.title | Importance of the Peptide Backbone Description in Modeling the Selectivity Filter in Potassium Channels | en_US |
dc.type | Article | en_US |
dc.department | Faculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineering | en_US |
dc.department | Fakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü | tr_TR |
dc.identifier.volume | 96 | en_US |
dc.identifier.issue | 10 | en_US |
dc.identifier.startpage | 4006 | en_US |
dc.identifier.endpage | 4012 | en_US |
dc.authorid | 0000-0001-9123-9292 | - |
dc.authorid | 0000-0003-4315-9532 | - |
dc.identifier.wos | WOS:000266312900013 | en_US |
dc.identifier.scopus | 2-s2.0-68049122041 | en_US |
dc.institutionauthor | Baştuğ, Turgut | - |
dc.identifier.pmid | 19450472 | en_US |
dc.identifier.doi | 10.1016/j.bpj.2009.02.041 | - |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.scopusquality | Q1 | - |
item.openairetype | Article | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
item.fulltext | With Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
crisitem.author.dept | 02.6. Department of Material Science and Nanotechnology Engineering | - |
Appears in Collections: | Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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