Aug. 9, 2021

LLNL/ATOM engagement with Purdue introduces students to drug design modeling

Jeremy Thomas/LLNL

Through an engagement with Purdue University’s The Data Mine learning community, LLNL and Purdue are partnering to speed up drug design using computational tools under the Accelerating Therapeutic Opportunities in Medicine (ATOM) project. Over two recent semesters (fall 2020 and spring 2021), LLNL bioinformatics scientist and ATOM researcher Jonathan Allen mentored a cohort of 20 undergraduate and graduate students and two teaching assistants, introducing them to computationally driven drug discovery and designing predictive models for drug candidates. The students met on a twice-weekly basis and worked in teams to evaluate virtual compounds for drug-like potential using ATOM-developed open source software. Read more at LLNL News.