Title:
Updating the Top Ten Ways that DDDAS Can Save the World – An Update from the World of Drug Discovery
Abstract:
Ten years ago (DDDAS at the 2014 ASME Meeting) we looked at the speaker’s “top ten” list of how DDDAS can save the world. And then four years ago (DDDAS 2020) as we adjusted to life in the COVID-19 pandemic via a virtual format, we revisited the top ten list by considering the dynamic data-driven aspects of the COVID-19 challenges from the speaker’s experiences in the biotech/pharma industry. Now here we are in 2024, the pandemic is a distant memory, and the computational world (including computational drug discovery) is caught in the euphoria of AI. This presentation will highlight a key limitation of AI in advancing in silico drug discovery and show how the DDDAS framework can provide a more useful combination of AI and computational chemistry to accelerate the discovery of novel chemical entities of therapeutic value.
Bio-Overview:
Sangtae Kim is the Jay and Cynthia Ihlenfeld Head (2016-present) and Distinguished Professor of Chemical Engineering at Purdue University, and CTO of Verseon, the drug discovery and development company based in Fremont, CA. He earned simultaneous BSc/MSc degrees (1979) in chemical engineering from the California Institute of Technology and a PhD (1983) from Princeton. He started his career at the Department of Chemical Engineering at UW-Madison in computational microhydrodynamics, rising to the rank of Wisconsin Distinguished Professor in eight years. In 1997, Dr. Kim moved to the pharmaceutical industry as Vice President of R&D Information Technology, first with Parke-Davis Pharmaceutical Research and then with Eli Lilly. He returned to academia in 2003 to become a distinguished professor at Purdue and to serve at the NSF as the inaugural Division Director for cyberinfrastructure (2004-2005). Dr. Kim returned to Madison in 2008-2013 to become the founding director of the Morgridge Institute for (Medical) Research with a special remit to foster translational research. The medical isotope company SHINE Medical Technologies was launched as a signature effort of his time at the institute and today is poised to play a major role in the supply of Mo-99 and Lu-177 to the pharmaceutical industry. Dr. Kim is a fellow of AICHE and AIMBE and among many other honors, has received AICHE’s Allan P. Colburn Award, was inducted in 2001 as a member of the National Academy of Engineering and received the 2013 Ho Am Prize in Engineering.