ASRC – City College of New York Seminar in Biochemistry, Biophysics & Biodesign
ASRC Main Auditorium, 85 Saint Nicholas Terrace
The speaker will be giving this talk in person in the ASRC Main Auditorium. Non-CUNY attendees need to register in advance; please see details below.*
THIS SEMINAR MAY ALSO BE VIEWED REMOTELY VIA ZOOM:
Meeting ID: 916 3796 4386
Wednesday, February 21, 2024
Seminar 12:00 – 1:00 PM
Coffee & tea 11:30 AM in the ASRC Cafe
Professor, Department of Chemistry
Lehman College, New York
How can water structure and thermodynamics inform lead drug discovery and design?
Abstract Water plays an instrumental role in the recognition between small molecule drugs and their biomolecular targets. When a drug is unbound, the structure and thermodynamics of water in the binding site reveal information that can be used to inform the discovery of lead drug compounds and their subsequent rational optimization. We will discuss how computer simulations and statistical mechanical liquid state theory can be used to map out the properties of water on the surface of proteins and how these ‘maps’ may be used to improve modern drug discovery and optimization efforts.
* Dr. Kurtzman will be giving this talk in person at the ASRC Main Auditorium. For non-CUNY attendees: advance registration is required; please contact Hyacinth Camillieri at email@example.com no later than Monday, Feb. 19 for entry to the ASRC.
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