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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ISSN:1538-0254
DOI:10.1080/07391102.2025.2610685