ArticleThe journal of physical chemistry. B2023
Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical-Computational Study.
Article in The journal of physical chemistry. B, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- A Combined Experimental-Theoretical Approach Unveils the Comprehensive Asn Deamidation Kinetics.Journal of the American Chemical Society · 2026Article
- Insights into the role of internal catalysts in asparagine-to-succinimide conversion in a hyperthermophilic glutamine amidotransferase.The Journal of biological chemistry · 2026Article
- Mechanism-Driven Features Enable Asn Deamidation Reactivity Prediction via Machine Learning Methods.Journal of chemical information and modeling · 2025Article
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Authors and funding
6 authors.
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Abstract
In this work, a theoretical-computational method is applied to study the deamidation reaction, a critical post-translational modification in proteins, using a simple model molecule in solution. The method allows one to comprehensively address the environmental effect, thereby enabling one to accurately derive the kinetic rate constants for the three main steps of the deamidation process. The results presented, in rather good agreement with the available experimental data, underline the necessity for a rigorous treatment of environmental factors and a precise kinetic model to correctly assess the overall kinetics of the deamidation reaction.
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