Author

Simon Ambrozak

University of Maryland, College Park

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Approach:graph neural network· 1 Research Focus:protein design· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Daniel KortzakiD· 1 shared Ian Buchanan· 1 shared Jana SheniD· 1 shared Mingzhe SheniD· 1 shared Ruibin LiuiD· 1 shared Shubham BhatnagariD· 1 shared

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2025-2025 · peak 1/yr

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1 shared paperBiophysics

Daniel KortzakORCID

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1 paper

Recent·Most cited

KaMLs for Predicting Protein pKa Values and Ionization States: Are Trees All You Need?

Mingzhe Shen, Daniel Kortzak, Simon Ambrozak, Shubham Bhatnagar, Ian Buchanan, Ruibin Liu, Jana Shen

This paper develops KaML models using decision trees and graph attention networks to predict protein pKa values and ionization states, outperforming existing methods and introducing a new pKa database.

Journal of Chemical Theory and Computation · Jan 30, 2025Peer-reviewedBiophysics