Personal profile
Research interests
The dynamics of living systems at the molecular level defines cell survival and regulation mechanisms, which in turn, define our physiological responses. Biomolecules work together in the cell in a seamless way: they communicate (intra- and intermolecular signaling), interact with each other (chemical reactions, binding, complex formation, assembly), produce and consume energy (mitochondrial functions, metabolic events), carry cargos (ion or substrate transport). They not only sustain and regulate cell life (transcription, translation, repair), but also orderly terminate it (apoptosis). How do biomolecules achieve so many functions? Because they have flexible structures that can adapt to changes and act in specific ways (intrinsic dynamics) driven by internal or external effects, controlled by principles of physical sciences and engineering, much like synthetic materials or machines. Chemical and physical rules that apply at the microscopic scale are not any different from those of the macroscopic world. Our goal is to help improve our understanding of the basic principles of biomolecular actions with the help of computing technology, visualize/simulate their time evolution, and discover rational intervention methods to counter their dysfunction.
External positions
Director/PI, NIGMS Biomed Technol & Res Center
2012 → 2021
Associate Director, University of Pittsburgh
Jan 2010 → 2023
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Collaborations and top research areas from the last five years
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Development of Nonheme Diiron Biocatalysts
Bahar, I. (CoPI) & Liu, Q. (PI)
01/26/24 → 06/30/26
Project: Research
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Identification of genetic factors and novel compounds for the treatment of jet lag
Bahar, I. (PI)
01/4/23 → 09/30/26
Project: Research
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Regulating Dopamine Transport Through Allosteric Modulation - Functional and Behavioral Studies
Bahar, I. (PI)
National Institute on Drug Abuse
09/15/24 → 05/31/26
Project: Research
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Binding and Translocation of Substrate Allosterically Promotes Functional Interactions Within the AlkB–AlkG Electron Transfer Complex
Mikulska-Ruminska, K., Licht, M., Ertem, M. Z., Shanklin, J., Liu, Q. & Bahar, I., Jan 15 2026, In: Journal of Molecular Biology. 438, 2, 169548.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Hinge sites in the lipid transfer channel modulate function of the yeast bridge-like transfer protein Vps13
Park, J. S., Nguyen, H., Cheng, M. H., Bahar, I. & Neiman, A. M., Feb 1 2026, In: Genetics. 232, 2, iyaf267.Research output: Contribution to journal › Article › peer-review
Open Access -
Small Molecule Activator of Phosphatase PP2A Remodels Scaffold PR65 Structural Dynamics To Promote Holoenzyme Assembly
Yilmaz, S. Z., Banerjee, A., Saha, S., Ohlmeyer, M., Gordon, R., Itzhaki, L. S., Bahar, I. & Gur, M., Feb 23 2026, In: JACS Au. 6, 2, p. 1102-1117 16 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
Accurate identification and mechanistic evaluation of pathogenic missense variants with Rhapsody-2
Banerjee, A., Bogetti, A. T. & Bahar, I., May 6 2025, In: Proceedings of the National Academy of Sciences of the United States of America. 122, 18, e2418100122.Research output: Contribution to journal › Article › peer-review
Open Access5 Scopus citations -
Allosteric Autoregulation of Ferroptosis Suppressor Protein 1 Activity by its N-myristoylated Tail
Ventura, C., Bogetti, X., Lee, J. Y. & Bahar, I., Oct 15 2025, In: Journal of Molecular Biology. 437, 20, 169344.Research output: Contribution to journal › Article › peer-review
2 Scopus citations