The 2026 Ruckenstein Lecture

We describe our efforts to develop an efficient computational algorithm that searches for peptides that bind strongly and selectively to specific biomolecular targets, and to use that algorithm in the design of peptide-based detectors, sensors, and drugs. The algorithm, PepBD,  is an iterative procedure that involves as many as 100,000 sequence mutation moves and/or peptide backbone conformation moves to arrive at the peptide sequence and conformation that has the lowest binding energy to the target. The top scoring peptides are then further evaluated by performing explicit-solvent atomistic simulations of the peptide–target complex to determine their binding free energies.  We describe the application of this method to three projects: (1) design of peptides to bind  to Cardiac Troponin I, a heart attack biomarker, (2) design of peptides to block the action of the toxins secreted by C- difficile bacteria in the large intestine, and (3) design of peptides to capture specific microplastics in the environment .  

Photography Policy
The University at Buffalo will occasionally have a photographer at events such as the one for which you are registered. Please be advised that UB may use photographs taken during events for publication in print and online, including social media. Please alert the photographer at the event should you not wish to have your photograph taken.