Department of Biomedical Informatics Special Seminar
Date/Time: Tuesday, January 31, 2017 at 4:00 pm
Can Molecular Dynamics Simulations Cure What Ails Ya?
Molecular dynamics simulations have in recent years been playing an increasingly important role in advancing our understanding of biological processes at an atomic level of detail. Such simulations are often capable of providing new insights into the interactions of biological macromolecules with each other and with endogenous and pharmaceutical ligands, suggesting that they may ultimately make important contributions to the process of drug discovery. This talk will examine several ways in which MD simulations might seem to be of potential use in designing new drugs. Examples will be given of both current capabilities and current limitations, with a focus on their potential implications for the use of MD as a tool for drug discovery.
David 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 his time to hands-on research in the field of computational biochemistry.
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 two-time co-recipient of the ACM Gordon Bell Prize, and was elected to the American Academy of Arts and Sciences in 2007, to the National Academy of Engineering in 2012, and to the National Academy of Sciences in 2014.