The Tokmakoff group studies the molecular dynamics of aqueous solutions and biophysical processes. We wish to understand how the hydrogen bond network of water changes with time, how it accommodates and interacts with different solutes, and how it mediates the transport of protons. We are interested in understanding the molecular details of how proteins fold, how they recognize and bind to a target, and how DNA oligonucleotides hybridize.
These questions all involve understanding the interplay of numerous competing non-covalent interactions, such as repulsion, electrostatics, and hydrogen bonding. Our aim is to reveal the dominant variables that capture the relevant chemistry for the system. Our experimental approach is to develop and use structure-sensitive ultrafast vibrational spectroscopy as a tool for following the time evolution of molecular structure. Our primary method is two-dimensional infrared spectroscopy, which we use to capture information on transient molecular structure and structural variation. This work involves the design and construction of new ultrafast infrared spectrometers, and close work with theorists on computational modeling tools and molecular dynamics simulations.
