M2M E10 - Water Structure and Thermodynamics in Drug Discovery
Research in the Kurtzman lab focuses on the development of computational methods that aid in the discovery and rational design of new drugs. Their approach applies a combination of statistical mechanical theory and computer simulations to better understand the physical principles governing the molecular recognition between proteins and small molecule drug candidates. This work provides a framework to account for and quantify the role that water plays in molecular recognition.
This episode features Tom Kurtzman, Ph.D. (Professor, Department of Chemistry, Lehman College) and Ali Madani, Ph.D. (Director, Machine Learning, Cyclica). Find out more about the Molecule to Medicine series on our website at https://cyclicarx.com/m2m-series/.