Event Description
You are cordially invited to attend the biweekly Brookhaven AI Mixer (BAM). BAM includes one short talk on AI research happening at BNL, followed by an open mixer over coffee and snacks for everyone to network and discuss all things AI. The first half hour will consist of presentations that will be available via ZOOM, and the second half hour will be for in person only networking.
Abstract: Designing custom proteins could revolutionize medicine and materials, but it remains an immense scientific challenge. Our work uses large-scale AI foundation models to generate novel proteins tailored to bind specific small molecules. Each AI-generated design is passed through a rigorous, multi-stage validation pipeline to ensure it is biophysically realistic. A key innovation is fine-tuning our model with data from molecular dynamics (MD) simulations, exposing it to the conformational dynamics and energetics of protein-ligand binding. This physics-aware training results in novel protein designs with enhanced stability and more effective binding capabilities.
Bio: Xin Dai is an Assistant Computational Scientist in the Artificial Intelligence Department of the CDS. His work centers on AI for Science with a strong focus on computational biology. He earned his PhD in Physics from Tsinghua University.
Join us every other Tuesday at noon in CDSD's Training Room (building 725, 2nd floor) to learn about interesting AI methods and applications, engage with potential collaborators, prepare for pending FASST funding calls, and build a community of AI for Science at BNL.
Location: CDS, Bldg. 725, Training Room
Join Zoom Meeting: https://bnl.zoomgov.com/j/1604383624?pwd=ffQ5cUPNxTI7nzClKQO6cnsNbhF9Vf.1
Meeting ID: 160 438 3624
Passcode: 558449
