PhD Seminar • Bioinformatics • Recurrent Energy-Based Modeling of Side-Chain Allostery

Tuesday, July 28, 2026 11:00 am - 12:00 pm EDT (GMT -04:00)

Please note: This PhD seminar will take place in DC 2314

Shun Saito, PhD candidate
David R. Cheriton School of Computer Science

Supervisor: Professor Forbes Burkowski

Allostery is the process by which a molecular event at one site of a protein influences the activity at a distant site. Although this type of long-range communication is critical to many biological functions, identifying the physical mechanisms responsible for transmitting allosteric effects remains a significant challenge. Many proteins can communicate allosterically through changes in conformational dynamics without necessitating substantial backbone rearrangements. Coordinated changes in side-chain dihedral angle rotamers may thus provide a vital, yet largely unexamined, description of how local perturbations cause distal reactions. This seminar presents a novel, recurrent, energy-based framework for studying collective side-chain organization in PDZ domains. The framework is designed to connect local molecular perturbations to modifications in the protein's stable torsional configurations. In this seminar, I will explore how coupled side-chain motion patterns can provide insight into the organization, propagation, and functional effects of allosteric communication.


To attend this PhD seminar in person, please go to DC 2314.