All about Energy Landscapes: Generating and Analyzing them to Predict and Characterize Protein Structure, Dynamics, and Function.
Amarda Shehu (George Mason University, Computer Science)
Research in my laboratory focuses on the design of novel algorithmic frameworks for elucidating biomolecular structures and their rearrangements as fundamental to understanding (dys)function, cellular processes, our own biology, and disease. Inspiration comes from a combination of biology and science and engineering fields that model dynamic systems. Specifically, we are driven by the energy landscape view, which allows modeling and understanding the behavior of intrinsically-dynamic molecular systems interconverting between structures with varying energies. In this talk I will share two recent directions of our research, one where we utilize protein energy landscapes to address a well-known but open problem known as decoy selection in template-free protein structure prediction, and one where we construct detailed representations of energy landscapes of healthy and diseased variants of a protein molecule of interest to human health. On the latter, I will demonstrate that computing and mining landscapes is allowing us to discover and categorize mechanisms via which pathogenic mutations alter protein dynamics and function in human disorders. This is bringing us closer to machines revealing part of the complex puzzle on how mutations alter biological activities.
Investigating the Activity of the Condensation Incompetent Ketosynthase (KS0) Domain in Type I Trans-AT Polyketide Synthase
Reham Al-Dhelaan, Ph.D. candidate (You group, George Mason Chemistry)
ACS on Campus, the American Chemical Society’s premier outreach program, is coming to George Mason University for a half-day event around science communication, publishing tips, and career talks! You’ll learn from ACS editors and local professionals tips and tools for publishing your research and sharing it with the public. Don’t miss out on our exciting career panel on jobs beyond the bench. You’ll hear from Prof. Erin Lavik, Associate Editor of Bioconjugate Chemistry, George Zaidan, Executive Producer of ACS Productions, Rebecca Hersher, reporter from NPR and more! There will also be plenty of time to network with your peers and make lasting professional connections.
***The event is FREE and open to all students and researchers studying the sciences. Coffee and refreshments are provided. Registration is highly recommended.***
Agenda, registration, and additional information can be found HERE.
ACS on Campus is sponsored by University Libraries and University Career Services.