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Article

Exploring the GDP binding to KRas WT, G12C, G12D, G12R, and G12V and bound with MRTX1133 using steered molecular dynamics.

European biophysics journal : EBJ - 1 Feb 2026

Alamri Abdulaziz, Mir Showkat Ahmad, Khan Shahnawaz, Ahmad Irshad, Razzokov Jamoliddin, Nayak Binata

Abstract excerpt

The oncogenic KRas protein is a crucial therapeutic target for cancer, but the efficacy of inhibitors against its variants remains complex. Using steered molecular simulations we quantified the binding free energies (ΔGbind) of GDP to wild-type (WT) KRas and its key oncogenic mutants G12C, G12D, G12R, and G12V, with and without MRTX1133 a potential inhibitor of the KRas G12D variant. In this study we highlighted...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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PMID: 41636798
DOI: 10.1007/s00249-026-01817-8

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026.

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