Author

Elizabeth Rosenzweig

City College of New YorkORCID 0000-0001-8464-8813Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Approach:statistical model· 1

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Ariën S. RustenburgiD· 1 shared Gehan RanepuraiD· 1 shared John D. ChoderaiD· 1 shared Junjun MaoiD· 1 shared M. R. GunneriD· 1 shared Raquel López-Ríos de CastroiD· 1 shared Saqibul Islam ChowdhuryiD· 1 shared Sukrit SinghiD· 1 shared

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1 shared paperBiophysics

Ariën S. RustenburgORCID

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BiophysicsbioRxivPreprintJul 30, 2026

Kinase inhibitors can change protonation or tautomeric state upon binding

Gehan Ranepura, Saqibul Islam Chowdhury, Elizabeth Rosenzweig…·M. R. Gunner

The paper uses MCCE to analyze how kinase inhibitors affect protonation and tautomeric states, finding that inhibitor charges change dynamically and minority tautomers can dominate binding.

DOI 10.64898/2026.07.27.741060

statistical model

𝕏 PostBluesky

Elizabeth Rosenzweig · henhao