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- dc.contributor.author
- ChangwonYang,
- dc.contributor.author
- 김은애
- dc.date.accessioned
- 2019-08-28T07:41:10Z
- dc.date.available
- 2019-08-28T07:41:10Z
- dc.date.issued
- 2012-10-31
- dc.identifier.issn
- 0253-2964
- dc.identifier.uri
- https://repository.kisti.re.kr/handle/10580/14049
- dc.identifier.uri
- http://www.ndsl.kr/ndsl/search/detail/article/articleSearchResultDetail.do?cn=JAKO201236135722954
- dc.description.abstract
-
Thrombinbindingaptamter(TBA-15)isa15-merguanine-richoligonucleotide.ThisDNAapamerspecifically
bindstothethrombinproteininvolvedinbloodcoagulation.Usingextensiveumbrellasamplingmolecular
dynamicssimulationmethodatallatomlevel,weinvestigatedthepotentialofmeanforce(PMF)uponpulling
theDNAaptamerfromthebindingmodeofaptamer/thrombincomplex.Fromthiscalculation,thefreeenergy
costforafulldissociationofthisaptamer/proteincomplexis17kcal/mol,indicatingasubstantialbinding
affinityofTBA-15.Interestingly,thisPMFrevealsnoticeableplateauregionsalongthepullingcoordinate.
Possiblestructuralchangesofthiscomplexintheplateauwereinvestigatedindetails.
- dc.language
- eng
- dc.relation.ispartofseries
- BulletinoftheKoreanChemicalSociety
- dc.title
- Potential of Mean Force Simulation by Pulling a DNA Aptamer in Complex with Thrombin
- dc.citation.number
- 11
- dc.citation.startPage
- 3597
- dc.citation.volume
- 33
- dc.identifier.url
- http://www.ndsl.kr/ndsl/commons/util/ndslOriginalView.do?dbt=JAKO&cn=JAKO201236135722954
- dc.subject.keyword
- TBA-15
- dc.subject.keyword
- Thrombinbindingaptamer
- dc.subject.keyword
- Umbrallasampling
- dc.subject.keyword
- Potentialofmeanforce
- Appears in Collections:
- 7. KISTI 연구성과 > 학술지 발표논문
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