How water structure and thermodynamics can inform lead drug discovery and design

Join us for first in-person event of 2024! We will hear from Dr. Tom Kurtzman, Professor of Chemistry at Lehman College CUNY, about the role of water energetics in drug discovery and drug design.

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 proximal to 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.

The talk will be at 6pm. After the talk we will have a networking reception with drinks and light refreshments.

Please note that this event is in-person only. Unfortunately, we are not able to accommodate remote attendance. This talk will not be recorded.

To help with logistics, RSVP is essential by Feb. 25th. Due to building policies, we may not be able to accommodate registrations after that date.

Thank you and we look forward to seeing you soon!