D. E. Shaw Research is an independent research laboratory that conducts scientific research and technological development in the field of computational biochemistry. Our group focuses on the design of novel algorithms and machine architectures for high-speed molecular dynamics (MD) simulations of proteins and other biological macromolecules, with the ultimate aim of significantly advancing the process of drug discovery. We have designed and developed multiple generations of Anton, a massively parallel supercomputer that executes MD simulations orders of magnitude faster than was previously possible. Anton has now simulated the behavior of a number of proteins for periods as long as several milliseconds, revealing biologically and pharmaceutically relevant aspects of protein dynamics.Members of our group include computational chemists and biologists, computer scientists and applied mathematicians, and computer architects and engineers of all seniority levels, working collaboratively within a tightly coupled interdisciplinary research environment.
Join us for an overview of our work and a discussion of current openings in the lab. Food will be served.
About the Speaker:
Andrew Taube
Andrew Taube is involved in the development of improved force fields for biomolecular simulation. Prior to joining DESRES, Andrew was a John von Neumann Post Doctoral Research Fellow at Sandia National Laboratories. His work focused on using quantum mechanical methods to improve the accuracy of chemical simulations. Andrew received a Ph.D. in physical chemistry from the University of Florida, and a B.S. in chemistry and mathematics from Duke University.
