Digital molecule designer Schrodinger taps Google Cloud for parallel computing

Schrodinger aims to upload its digital drug discovery efforts to Google’s cloud network with plans to employ thousands of processors to simulate billions of potential compounds per week.The three-year collaboration with Google Cloud is designed to substantially increase the speed and capacity of its physics-based molecule modeling platform, the company said, with supercomputer-level power being distributed among nationwide centers.We are excited to harness Google Cloud’s highly scalable system to run extensive free energy calculations to assess binding affinities through our compute-intensive FEP+ application,” said Schrodinger’s chief information officer, Shane Brauner, describing the company’s program for virtually screening the strength of potential ligands. Those efforts are focused on discovering and developing small-molecule inhibitors for targets in DNA damage response pathways and related cancers, the company said in its Securities and Exchange Commission filings. It plans to launch IND-enabling, preclinical studies by the first half of 2021.  But Schrodinger is also continuing to provide its drug discovery services to Big Pharma companies. Earlier this year, it inked a five-year deal with Bayer to digitally screen therapeutic candidates, following similar pacts with Sanofi and AstraZeneca.