Comparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein

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dc.authoridTekpinar, Mustafa/0000-0002-0207-0446
dc.contributor.authorAsafi, M. S.
dc.contributor.authorYildirim, A.
dc.contributor.authorTekpinar, M.
dc.date.accessioned2024-12-24T19:24:07Z
dc.date.available2024-12-24T19:24:07Z
dc.date.issued2016
dc.departmentSiirt Üniversitesi
dc.descriptionInternational Physics Conference at the Anatolian Peak (IPCAP) -- FEB 25-27, 2016 -- Ataturk Univ, Nenehatun Cultural Ctr, Erzurum, TURKEY
dc.description.abstractUnderstanding dynamics of proteins has many practical implications in terms of finding a cure for many protein related diseases. Normal mode analysis and molecular dynamics methods are widely used physics-based computational methods for investigating dynamics of proteins. In this work, we studied dynamics of Hepatitis C NS5B protein with molecular dynamics and normal mode analysis. Principal components obtained from a 100 nanoseconds molecular dynamics simulation show good overlaps with normal modes calculated with a coarse-grained elastic network model. Coarse-grained normal mode analysis takes at least an order of magnitude shorter time. Encouraged by this good overlaps and short computation times, we analyzed further low frequency normal modes of Hepatitis C NS5B. Motion directions and average spatial fluctuations have been analyzed in detail. Finally, biological implications of these motions in drug design efforts against Hepatitis C infections have been elaborated.
dc.description.sponsorshipAtaturk Univ, Phys Dept
dc.identifier.doi10.1088/1742-6596/707/1/012036
dc.identifier.issn1742-6588
dc.identifier.issn1742-6596
dc.identifier.scopus2-s2.0-84977272684
dc.identifier.scopusqualityQ3
dc.identifier.urihttps://doi.org/10.1088/1742-6596/707/1/012036
dc.identifier.urihttps://hdl.handle.net/20.500.12604/5828
dc.identifier.volume707
dc.identifier.wosWOS:000561775700035
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIop Publishing Ltd
dc.relation.ispartofInternational Physics Conference At The Anatolian Peak (Ipcap2016)
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241222
dc.titleComparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein
dc.typeConference Object

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