Start: March 26, 2026 3:30 p.m.
End: March 26, 2026 4:30 p.m.
Molecular Dynamics Insights into Protein Robustness under Extreme Conditions: From Mechanosensitive Channel Gating to Enzyme-Enhanced Carbon Capture
Dr. Arjun Sharma
Assistant Professor
Department of Chemistry and Biochemistry, Purdue University – Fort Wayne
Thursday, 03/26 @ 3:30 PM
FB 253
Proteins must maintain their structure and function under diverse environmental stresses, including mechanical forces, high temperatures, and chemical exposure. This talk presents two studies using atomistic molecular dynamics simulations, supported by experimental data, to explore protein responses to extreme conditions. The first study examines a bacterial mechanosensitive channel, showing how structural flexibility and a tightly sealed pore regulate its response to membrane tension, shedding light on cellular osmoprotection. The second study compares mesophilic and thermophilic carbonic anhydrase variants, an enzyme promising for industrial CO₂ capture, to identify structural features that enhance stability at high temperatures and in the presence of common flue gas pollutants. Together, these studies demonstrate how computational methods provide molecular insights into protein resilience, advancing both fundamental biology and the development of robust biomolecular technologies.