Conformational Preferences of Gas Phase Peptides and Synthetic Foldamers: Challenges to Theory and Experiment

This talk will describe combined experimental/computational studies of the conformational preferences of isolated, beta-peptide foldamers as neutrals, probing the development of mixed 10/12 helices with size. We will also describe our work on cryo-cooled protonated peptides in the gas phase, including a study of peptides capable of forming salt bridges. In both contexts, the need for accurate and fast exploration of the conformational landscape is crucial to success. The prospects and limits of both theory and experiment will be discussed.