In this talk I will discuss a research project that an undergraduate researcher in my group was able to finish based on insights we gained from talking with Adrian Roitberg and Carlos Simmerling at one of the Sanibel Symposium conferences. We learned how to run REMD simulations that allowed us to discover why a particular small peptide inhibited breast cancer in rodents. I will also highlight some current work that is based on doing a better job of configurational/conformational analysis of hydrogen-bonded clusters.

Honoring Adrian Roitberg: Conformational analysis of hydrogen-bonded peptides and clusters

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.