Grants & Projects per year
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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Toward a Deeper Understanding of Allostery and Allotargeting by Computational Approaches
Bahar, I. (PI)
National Institute of General Medical Sciences
04/1/26 → 03/31/27
Project: Research
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Disarming Antibiotic Resistance and Virulence of Methicillin-Resistant Staphylococcus Aureus
Bahar, I. (PI), Kim, H. (CoPI) & Serebryany, E. (CoPI)
02/1/26 → 01/31/27
Project: Research
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The Role of HIV Proteins in Psychostimulant Abuse
Bahar, I. (PI)
National Institute on Drug Abuse
05/1/25 → 03/31/27
Project: Research
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Biosecurity Research Environment for Invasive Fungal Disease
Bahar, I. (PI) & Konopka, J. (CoPI)
02/14/24 → 02/15/27
Project: Research
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15-LOX-catalytic bias towards ether-(alkenyl)-ETE-PEs oxidation bestows selectivity of PRO-ferroptotic cell death signaling
Tyurina, Y. Y., Mikulska-Ruminska, K., Tyurin, V. A., Kleiboeker, B. A., Kapralov, A. A., Hashimoto, A., Sparvero, L. J., Dar, H. H., Akdogan, M., Yamada, K., Zhao, J., Kelestemur, T., Saritas, E., Samovich, S. N., Holman, T. R., Bunimovich, Y. L., Nefedova, Y., Gabrilovich, D. I., Wenzel, S. E. & Bahar, I. & 2 others, , Dec 2026, In: Nature Communications. 17, 1, 5360.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
AP2B1, a protein involved in endocytic trafficking, is associated with congenital heart defects when mutated
Guzman, C., Zhu, W. J., Jha, A., Tong, Y., Arrigo, A., Bahar, I., Lo, C. & Lin, J. H. I., Nov 2026, In: Genes and Diseases. 13, 6, 102035.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations -
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 -
Cryo-electron microscopy structure of a zinc uptake ABC transporter
Pang, C., Nguyen, H., Zhang, Q., Bahar, I. & Liu, Q., 2026, (Accepted/In press) In: Structure.Research output: Contribution to journal › Article › peer-review
Open Access -
DruGUI 2.0: mapping protein druggability with probe-based molecular dynamics
Ventura, C., Lee, J. Y., Bogetti, A. T., Banerjee, A., Licht, M. & Bahar, I., Jul 2026, In: Bioinformatics. 42, 7, btag429.Research output: Contribution to journal › Article › peer-review
Open Access