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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 101 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 90 | - |
dc.citation.title | MOLECULAR SIMULATION | - |
dc.citation.volume | 38 | - |
dc.contributor.author | Chen, Wen Wen | - |
dc.contributor.author | Tay, Derrick Kok Sing | - |
dc.contributor.author | Leong, Susanna Su Jan | - |
dc.contributor.author | Kwak, Sang Kyu | - |
dc.date.accessioned | 2023-12-22T05:36:16Z | - |
dc.date.available | 2023-12-22T05:36:16Z | - |
dc.date.created | 2014-10-02 | - |
dc.date.issued | 2012-02 | - |
dc.description.abstract | The 3D structure of the human β-defensin 28 (HBD-28) has been investigated via homology modelling and molecular dynamics (MD) approach. With known high-resolution structures of HBD-2 and -3, single- and multiple-template sequence alignments are applied to find highly probable candidates for HBD-28, which are in turn refined through MD simulations in pure water and 50% trifluoroethanol/water mixture. The models obtained from homology modelling were assessed by protein structure validation software suite, which includes Procheck, MolProbity, Verify-3D and various structure validation tools. We found that modelling quality is proportionally related to the sequence alignment accuracy. In comparison with circular dichroism experimental data as well as stabilities of β-sheets and α-helix, HBD-28 with a reliable 3D structure was found. | - |
dc.identifier.bibliographicCitation | MOLECULAR SIMULATION, v.38, no.2, pp.90 - 101 | - |
dc.identifier.doi | 10.1080/08927022.2011.604854 | - |
dc.identifier.issn | 0892-7022 | - |
dc.identifier.scopusid | 2-s2.0-84863039436 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6804 | - |
dc.identifier.wosid | 000298376100002 | - |
dc.language | 영어 | - |
dc.publisher | TAYLOR & FRANCIS LTD | - |
dc.title | Three-dimensional structure of human β-defensin 28 via homology modelling and molecular dynamics | - |
dc.type | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | human beta-defensin protein | - |
dc.subject.keywordAuthor | homology modelling | - |
dc.subject.keywordAuthor | molecular dynamics | - |
dc.subject.keywordPlus | ANTIMICROBIAL PEPTIDES | - |
dc.subject.keywordPlus | CIRCULAR-DICHROISM | - |
dc.subject.keywordPlus | BRIDGE FUNCTION | - |
dc.subject.keywordPlus | WATER MODELS | - |
dc.subject.keywordPlus | SIMULATIONS | - |
dc.subject.keywordPlus | RECOGNITION | - |
dc.subject.keywordPlus | STABILITY | - |
dc.subject.keywordPlus | ALIGNMENT | - |
dc.subject.keywordPlus | MIXTURES | - |
dc.subject.keywordPlus | FOLD | - |
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