Department of Chemistry and Biochemistry

Steven Dajnowicz, Ph.D.

Professional Background

• B.S., 2014, Univ. of Toledo
• Ph.D., 2018, Univ. of Toledo
• 2018-2020 Post-Doctoral Fellow, Schrödinger, Inc
• 2020-2022 Senior Scientist I, Schrödinger, Inc
• 2022-2024 Principal Scientist I, Schrödinger, Inc
• 2024-2026 Principal Scientist II-Product Manager, Schrödinger, Inc
• 2026-2026 Senior Principal Scientist-Product Manager, Schrödinger, Inc

Research Synopsis:

Our laboratory operates at the intersection of computational chemistry, machine learning, and enzymology. Enzymes are nature’s most sophisticated catalysts, driving complex chemical transformations with unparalleled efficiency and specificity. To understand, predict, and engineer these remarkable molecular machines, our group bridges the gap between physics-based simulations and data-driven machine learning methods. By teaching computers the underlying laws of physics and chemistry, we aim to accelerate molecular discovery and unlock predictive control over biological catalysts.

Enzymology and Biophysics: Deciphering the fundamental atomistic mechanisms, transition states, and catalytic pathways of complex enzymes.
Computational Chemistry: Utilizing electronic structure methods, molecular dynamics, and enhanced sampling workflows to model reactivity and molecular recognition.
Machine Learning: Developing and deploying next-generation machine learning methods that bridge and enhance conventional approaches for studying enzyme mechanisms and chemical reactivity.