Volker Eyrich, Vice President of Technology, Schrödinger Inc.
Large-Scale Virtual Screening in the Cloud
Schrödinger Inc., in collaboration with its technology partner Cycle Computing and drug discovery partner Nimbus Discovery, has recently demonstrated the ability to screen, with the docking program Glide, 21 million drug-like compounds in 3 hours on 50,000 cores provided by Amazon’s EC2 service. We will discuss the challenges associated with running complex computational methods on a massive number of cores in the cloud as well as the impact this experiment has on computationally driven drug discovery projects.
Volker Eyrich is currently the Vice President of Technology at Schrödinger Inc. In this position he is responsible for all aspects of the technical development of Schrödinger’s suite of cutting-edge scientific applications. Since he joined the company in 2001 he has held various positions in the areas of development and product management. He holds a Ph.D. in physical chemistry from Columbia University in New York City. In his graduate and post-doctoral research, he focused on the development of novel algorithms for ab initio protein folding simulations as well as large-scale benchmarking of protein structure prediction servers.