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 under the leadership of chief scientist Dr. David E. Shaw.