Author

Junjun Mao

City College of New YorkORCID 0000-0002-3106-3018Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Approach:statistical model· 2 Research Focus:protein folding & dynamics· 1 Research Focus:protein structure prediction· 1 Assay:proteomics· 1

Frequent Co-Authors

Gehan RanepuraiD· 2 shared M. R. GunneriD· 2 shared Abhishek SingharoyiD· 1 shared Ariën S. RustenburgiD· 1 shared Chitrak GuptaiD· 1 shared Elizabeth RosenzweigiD· 1 shared John D. ChoderaiD· 1 shared Jose Ortiz-SotoiD· 1 shared

Activity by Year

2024-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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2 shared papersBiophysics

Gehan RanepuraORCID

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2 papers

Recent·Most cited

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

BiophysicsBiochimica et Biophysica Acta (BBA) - BioenergeticsPeer-reviewedOct 21, 2024

Finding the E-Channel Proton Loading Sites by Calculating the Ensemble of Protonation Microstates

Md. Raihan Uddin, Umesh Khaniya, Chitrak Gupta…·M. R. Gunner

The paper identifies proton loading sites in Complex I by analyzing protonation microstates using MCCE and Molecular Dynamics simulations.

2 citations

proteomicsstatistical model

𝕏 PostBluesky