"Integrated deployment and collaborative use of advanced computational modeling and next-generation machine learning to accelerate drug discovery" with Robert Abel, Schrödinger Inc. (Online Seminar)

Title: Integrated deployment and collaborative use of advanced computational modeling and next-generation machine learning to accelerate drug discovery

Speaker: Robert Abel, Schrödinger Inc.

Hosted by: Pratyush Tiwary

Abstract: 

Small molecule drug discovery requires identification of ligands manifesting highly potent and selective binding, while maintaining a wide variety of other ligand properties required for safety and biological efficacy.  We will present how integrated deployment and collaborative use of advanced computational modeling and next-generation machine learning can enable discovery teams to rapidly achieve these goals.  We will further present multiple case studies from active drug discovery projects highlighting how these technologies, rather than simply being used to evaluate ligand design ideas, can now be used to directly ideate novel ligand matter likely to advance discovery efforts.  

Please contact the host (ptiwary@umd.edu) for the Zoom link if you would like to attend the seminar.

Seminars start at 4:00 pm and refreshments served at 3:45 pm. All seminars are held in the Conference Room (1116) of the Institute for Physical Science and Technology (IPST) Building, unless otherwise noted.