Publications
Publications since University of Michigan
13. Sztain, T., Corpuz, J.C., Bartholow, T.G., Sanlley-Hernandez, J.O., Jiang, Z., Mellor, D.A., Heberlig, G.W., LaClair, J.J., J. McCammon, J.A, Burkart, M.D. Interface Engineering of Carrier-Protein-Dependent Metabolic Pathways. ACS Chem. Biol. 2023, 18 (9), 2014–2022. [link].
Publications before University of Michigan
12. Dommer, A.; Casalino, L.; Kearns, F.; Rosenfeld, M.; Wauer, N.; Ahn, S.-H.; Russo, J.; Oliveira, S.; Morris, C.; Bogetti, A.; Trifan, A.; Brace, A.; Sztain, T.; Clyde, A.; Ma, H.; Chennubhotla, C.; Lee, H.; Turilli, M.; Khalid, S.; Tamayo-Mendoza, T.; Welborn, M.; Christensen, A.; Smith, D. G. A.; Qiao, Z.; Sirumalla, S. K.; O’Connor, M.; Manby, F.; Anandkumar, A.; Hardy, D.; Phillips, J.; Stern, A.; Romero, J.; Clark, D.; Dorrell, M.; Maiden, T.; Huang, L.; McCalpin, J.; Woods, C.; Gray, A.; Williams, M.; Barker, B.; Rajapaksha, H.; Pitts, R.; Gibbs, T.; Stone, J.; Zuckerman, D.; Mulholland, A.; Miller, T.; Jha, S.; Ramanathan, A.; Chong, L.; Amaro, R. #COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. Int. J. High Perform. Comput. Appl. 2023, 37 (1), 28-44. [link]
11. Bartholow, T. G.; Sztain, T.; Young, M. A.; Lee, D. J.; Davis, T. D.; Abagyan, R.; Burkart, M. D. Control of Unsaturation in De Novo Fatty Acid Biosynthesis by FabA. Biochemistry 2022, 61 (7), 608–615. [link]
10. Sztain, T.; Ahn, S.-H.; Bogetti, A. T.; Casalino, L.; Goldsmith, J. A.; Seitz, E.; McCool, R. S.; Kearns, F. L.; Acosta-Reyes, F.; Maji, S.; Mashayekhi, G.; McCammon, J. A.; Ourmazd, A.; Frank, J.; McLellan, J. S.; Chong, L. T.; Amaro, R. E. A Glycan Gate Controls Opening of the SARS-CoV-2 Spike Protein. Nat. Chem. 2021, 13 (10), 963–968. [link]
9. Casalino, L.; Dommer, A. C.; Gaieb, Z.; Barros, E. P.; Sztain, T.; Ahn, S.-H.; Trifan, A.; Brace, A.; Bogetti, A. T.; Clyde, A.; Ma, H.; Lee, H.; Turilli, M.; Khalid, S.; Chong, L. T.; Simmerling, C.; Hardy, D. J.; Maia, J. D.; Phillips, J. C.; Kurth, T.; Stern, A. C.; Huang, L.; McCalpin, J. D.; Tatineni, M.; Gibbs, T.; Stone, J. E.; Jha, S.; Ramanathan, A.; Amaro, R. E. AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics. Int. J. High Perform. Comput. Appl. 2021, 35 (5), 432–451. [link]
8. Sztain, T.; Amaro, R.; McCammon, J. A. Elucidation of Cryptic and Allosteric Pockets within the SARS-CoV-2 Main Protease. J. Chem. Inf. Model. 2021, 61 (7), 3495–3501. [link]
7. Sztain, T.; Bartholow, T. G.; Lee, D. J.; Casalino, L.; Mitchell, A.; Young, M. A.; Wang, J.; McCammon, J. A.; Burkart, M. D. Decoding Allosteric Regulation by the Acyl Carrier Protein. Proc. Natl. Acad. Sci. U.S.A. 2021, 118 (16). [link]
6. Bartholow, T. G.; Sztain, T.; Patel, A.; Lee, D. J.; Young, M. A.; Abagyan, R.; Burkart, M. D. Elucidation of Transient Protein-Protein Interactions within Carrier Protein-Dependent Biosynthesis. Commun. Biol. 2021, 4 (1), 1–10. [link]
5. Bartholow, T. G.; Sztain, T.; Young, M. A.; Davis, T. D.; Abagyan, R.; Burkart, M. D. Protein–Protein Interaction Based Substrate Control in the E. Coli Octanoic Acid Transferase, LipB. RSC Chem. Biol. 2021, 2, 1466–1473. [link]
4. Sztain, T.; Bartholow, T. G.; McCammon, J. A.; Burkart, M. D. Shifting the Hydrolysis Equilibrium of Substrate Loaded Acyl Carrier Proteins. Biochemistry 2019, 58 (34), 3557–3560. [link]
3. Sztain, T.; Patel, A.; Lee, D. J.; Davis, T. D.; McCammon, J. A.; Burkart, M. D. Modifying the Thioester Linkage Affects the Structure of the Acyl Carrier Protein. Angew. Chem., Int. Ed. 2019, 58 (32), 10888–10892. [link]
2. Nardi, I.; Reno, T.; Yun, X.; Sztain, T.; Wang, J.; Dai, H.; Zheng, L.; Shen, B.; Kim, J.; Raz, D. Triptolide Inhibits Wnt Signaling in NSCLC through Upregulation of Multiple Wnt Inhibitory Factors via Epigenetic Modifications to Histone H3. Int. J. Cancer 2018, 143 (10), 2470–2478. [link]
1. Gunawardana, M.; Chang, S.; Jimenez, A.; Holland-Moritz, D.; Holland-Moritz, H.; La Val, T. P.; Lund, C.; Mullen, M.; Olsen, J.; Sztain, T. A.; Yoo, J.; Moss, J. A.; Baum, M. M. Isolation of PCR Quality Microbial Community DNA from Heavily Contaminated Environments. J. Microbiol. Methods 2014, 102, 1–7. [link]