D.E.ShawResearch

Design new algorithms and machine architectures for high-speed molecular dynamics (MD) simulations of proteins and other large biomolecules. In particular, we have designed and built a specialized supercomputer called Anton, which can perform such simulations much faster than before, along with some software tools and techniques that facilitate execution and analysis.Use long MD simulations to study structural changes of biological phenomena occurring on timescales far exceeding those previously available for computational research, with the ultimate goal of significantly advancing the drug discovery process.