Yibing Shan, PhD

CADD Advisor

• Cofounder of DE Shaw Research, Partner at AB Magnitude Ventures.

Dr. Yibing Shan is a world leader in the field of computational drug discovery. He has been a founding member of D. E. Shaw Research and played a key role in the conception and design of Anton Specialized Supercomputer for molecular dynamics simulations and was twice a co-recipient of the Association of Computing Machinery (ACM) Gordon Bell Prize in 2006 and 2009. The Gaussian Split Ewald algorithm he developed is a key design feature of Anton Supercomputers. Yibing initiated the “swimming” simulations of biomolecular association and developed it into a simulation tool that has become integral to a number of state-of-the-art drug discovery platforms. In search for optimal strategies to apply molecular dynamics simulations to enable and expedite drug discovery, he conducted drug discovery programs targeting Mcl-1, K-Ras and Nedd4 in his 18-year tenure in D. E. Shaw Research. Since then, his research pivoted to computational structural biology and computational chemistry. His team pioneered simulation-based structural elucidation of large functional assemblies of proteins, which includes EGFR, JAK2, and Raf kinases, plexins, and Rho and Ras small GTPases.