The Role of Simulation in Understanding the Structure and Function of Biomolecules
Tuesday, October 26, 2004
Presented by the New York Academy of Sciences
Organizers: Robert Germain, IBM; and Jeremy Paul, New York Academy of Sciences
Speakers: Robert Germain, IBM; Michael Klein, University of Pennsylvania; Benoit Roux, Weill-Cornell Medical School; Klaus Gawrisch, National Institutes of Health; and Richard Friesner, Columbia University
This program will address the following questions:
(1) How does one parameterize and characterize the models used for biomolecular simulation?
(2) How are biomolecular simulations being used to advance our understanding of biologically interesting systems, focusing on simulations of lipid bilayers (membranes) and the proteins that are associated with them?
(3) What is the interplay between experiment and simulation?
Presentations (9:00 AM–12:00 PM):
Supercomputing and Protein Structural Prediction
Drug Discovery Applications
Support for this meeting is provided by a generous grant from IBM Life Sciences.