University of Connecticut

Events Calendar

Norman Hascoe Distinguished Lecture

Monday, October 4, 2010
4:00pm – 5:30pm

Storrs Campus
Gant Science Complex P-38

Ron O. Dror, D.E. Shaw Research in New York, N.Y.

“Long-Timescale Molecular Dynamics Simulation as a Tool for Understanding Drug Targets.”

Recent advances in algorithms and hardware for molecular dynamics (MD) simulations of proteins have brought previously inaccessible biological timescales within reach. These developments are now beginning to shed light on some of the detailed, atomic-level structural changes and intermolecular interactions that underlie the molecular pathology and pharmaceutical treatment of many diseases. This talk will illustrate the potential utility of state-of-the-art high-performance MD simulations in the process of designing new, precisely targeted drugs, using as examples a G-protein–coupled receptor targeted in the treatment of cardiac and respiratory diseases and an ion channel whose malfunction underlies arrhythmia and epilepsy. Refreshments to follow the talk in the Gant Complex, Physics Library, Room P-103.


Dawn Rawlinson 486-4916

Physics Department (primary)

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