D. E. Shaw Research (DESRES) is at the forefront of computational biochemistry, focusing on the development of advanced technologies to simulate and understand the behavior of biologically and pharmaceutically significant molecules at an atomic level. Their interdisciplinary approach combines expertise in computer science, chemistry, biology, and engineering to drive innovations in drug discovery and molecular dynamics simulations.
DESRES employs molecular dynamics (MD) simulations to study the motion and interactions of biological molecules. These simulations provide ultra-high-resolution insights into molecular behavior, enabling researchers to observe structural changes and interactions that are challenging to capture experimentally.
Central to DESRES’s work is the development of special-purpose supercomputers, notably the Anton series. These machines are designed to perform MD simulations significantly faster than general-purpose supercomputers, allowing for the exploration of biological phenomena over extended timescales.