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Podcast - Anton: Molecular Dynamics Simulation for Drug Design


A previously record podcast with DAVID E. SHAW, the keynote speaker at Cambridge Healthtech Institute (CHI) and Bio-IT World’s 11th Annual Structure-Based Drug Design Conference that was held on June 8-10, 2011, Royal Sonesta Hotel Boston. 

David E. Shaw, Chief Scientist of D. E. Shaw Research, talks with Bio-IT World editor Kevin Davies about a specialized supercomputer, called Anton, that has simulated the behavior of proteins for periods as long as two milliseconds. Excerpts from some of these simulations, showing events such as drugs finding their own binding sites, will be shown during his upcoming keynote address – "Millisecond-Long Molecular Dynamics Simulations of Proteins on a Special-Purpose Machine.” 

PodcastListen to the podcast 

 

David ShawDavid E. Shaw serves as chief scientist of D. E. Shaw Research and as a senior research fellow at the Center for Computational Biology and Bioinformatics at Columbia University. He received his Ph.D. from Stanford University in 1980, served on the faculty of the Computer Science Department at Columbia until 1986, and founded the D. E. Shaw group in 1988. Since 2001, Dr. Shaw has devoted most of his time to hands-on research in the field of computational biochemistry. His lab is currently involved in the development of new algorithms and machine architectures for high-speed molecular dynamics simulations of biological macromolecules, and in the application of such simulations to basic scientific research and computer-assisted drug design.

Dr. Shaw was appointed to the President’s Council of Advisors on Science and Technology by President Clinton in 1994, and again by President Obama in 2009. He is a fellow of the American Academy of Arts and Sciences and of the American Association for the Advancement of Science.



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