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The research aims to analyze the structural and functional significance of the KRAS protein through advanced computational methods.

December 8, 2025Cancer Research

Abstract B031: Advanced therapeutic analysis of undruggable oncoprotein KRAS; 3D structural and functional significance by I-TASSER

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The research aims to analyze the structural and functional significance of the KRAS protein through advanced computational methods.
Utilized i-TASSER for predicting the 3D structure of KRAS-Human protein
Employed LOMETS for template identification and SPICKER for clustering
Conducted Ramachandran plot analysis and calculated B-factor values for thermal mobility
Performed statistical analyses, including ANOVA and regression analyses on thermodynamic models
Generated 5 thermodynamic state models with various confidence scores and cluster densities
Confirmed left-handed beta-sheet conformations via Ramachandran plot analysis
Identified structural stability metrics indicating lower values in beta strands
Highlighted potential ligand-binding regions with distinct solvent accessibility scores

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Bioinformatic tool resolves thermodynamic states and structural stability in KRAS, suggesting implications for drug discovery.

Md. Noushad Javed (2025) studied this question.

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