Anthony Rosales

Howdy! Originally from Montana, I am a current PhD candidate in the combined lab of Olaf Wiest and Paul Helquist. I have broad scientific training including organometallic synthesis, computational modeling, and enzyme kinetics. My doctoral thesis describes the development and application of the Quantum Guided Molecular Mechanics (Q2MM) method. In the past few years, our lab has made the Q2MM software publicly available in a github repository. The repository includes scripts for force field parameterization along with our newly developed virtual screening tools. These allow rapid screening of catalysts faster than the time scales of experimental screening. Many of these tools are currently being used by a major pharmaceutical company.