Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.

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Title: Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.
Authors: Shi S; School of Science, Shandong Jianzhu University, Jinan, China., Liu A; School of Science, Shandong Jianzhu University, Jinan, China., Guo Y; School of Science, Shandong Jianzhu University, Jinan, China.; Shandong Key Laboratory of Biophysics, Institute of Biophysics, Dezhou University, Dezhou, China.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2026 Jun; Vol. 44 (9), pp. 4608-4629. Date of Electronic Publication: 2026 Jan 05.
Publication Type: Journal Article
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.
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  Data: <searchLink fieldCode="AU" term="%22Shi+S%22">Shi S</searchLink>; School of Science, Shandong Jianzhu University, Jinan, China.<br /><searchLink fieldCode="AU" term="%22Liu+A%22">Liu A</searchLink>; School of Science, Shandong Jianzhu University, Jinan, China.<br /><searchLink fieldCode="AU" term="%22Guo+Y%22">Guo Y</searchLink>; School of Science, Shandong Jianzhu University, Jinan, China.; Shandong Key Laboratory of Biophysics, Institute of Biophysics, Dezhou University, Dezhou, China.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2026 Jun; Vol. 44 (9), pp. 4608-4629. <i>Date of Electronic Publication: </i>2026 Jan 05.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41489074
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1080/07391102.2025.2610685
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      – Code: eng
        Text: English
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      Pagination:
        StartPage: 4608
    Titles:
      – TitleFull: Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.
        Type: main
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            NameFull: Shi S
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          Name:
            NameFull: Liu A
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            NameFull: Guo Y
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          Dates:
            – D: 01
              M: 06
              Text: 2026 Jun
              Type: published
              Y: 2026
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            – Type: issn-electronic
              Value: 1538-0254
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              Value: 44
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              Value: 9
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            – TitleFull: Journal of biomolecular structure & dynamics
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