Author

T. Sztain

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· 3

Signature Assays, Organisms & Methods

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Organism:virus· 3 Approach:deep learning· 2 Approach:biophysical modeling· 1 Research Focus:drug response / drug discovery· 1 Research Focus:host-pathogen & immune response· 1 Assay:imaging· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

Frequent Co-Authors

A. Bogetti· 2 shared A. Brace· 2 shared A. Stern· 2 shared A. Trifan· 2 shared D. Hardy· 2 shared H. Lee· 2 shared H. Ma· 2 shared J. Phillips· 2 shared

Activity by Year

2020-2021 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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2 shared papersBiophysics

A. Bogetti

Mutual co-authors in cluster

Author profile →

3 papers

Recent·Most cited

#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol

A. Dommer, L. Casalino, F. Kearns, M. Rosenfeld, N. Wauer, S.-H. Ahn, J. Russo, S. Oliveira, C. Morris, A. Bogetti, A. Trifan, A. Brace, T. Sztain, A. Clyde, H. Ma, , Muholland

This paper uses AI-enabled multiscale computational microscopy to study SARS-CoV-2 Delta variant in respiratory aerosols, revealing atomic-level insights into airborne transmission.

bioRxiv · Nov 12, 2021Biophysics

Elucidation of cryptic and allosteric pockets within the SARS-CoV-2 protease

T. Sztain, R. E. Amaro, J. A. McCammon

The paper identifies cryptic and allosteric pockets in the SARS-CoV-2 main protease using enhanced sampling methods and assesses their druggability for potential inhibitor development.

Journal of Chemical Information and Modeling · Jul 26, 2021Peer-reviewedBiophysics

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

L. Casalino, A. C. Dommer, Z. Gaieb, E. P. Barros, T. Sztain, S.-H. Ahn, A. Trifan, A. Brace, H. Ma, H. Lee, M. Turilli, A. Bogetti, S. Khalid, L. Chong, C. Simmerling, , R. E. Amaro

This paper develops an AI-driven workflow to simulate SARS-CoV-2 spike protein dynamics, revealing glycan shield structure, spike glycans' role in infectivity, and spike-ACE2 interactions.

bioRxiv · Nov 19, 2020Biophysics