AI-driven de novo Enzyme Design
Tuesday November 19th, 4-5pm EST | Will Hua (McGill University, MILA)
Summary: This talk/discussion will cover topics including (1) enzyme-reaction datasets, (2) active site design using simulation-free generative models, (3) AI-driven enzyme design models, (4) computational screening methods for enzyme retrieval and function prediction, and (5) ongoing work and perspectives, all from the following works:
ReactZyme (dataset & screening): https://github.com/WillHua127/ReactZyme
EnzymeFlow (active site design method): https://github.com/WillHua127/EnzymeFlow
GENzyme (enzyme design): https://github.com/WillHua127/GENzyme
EnzymeCAGE (screening): https://github.com/1120172175/EnzymeCAGE
Personal website: https://willhua127.github.io/
Will (Chenqing) Hua is currently a master student at McGill & Mila working on AI and biology, under supervision of Doina Precup and Guy Wolf. He also received a bachelor degree in computer science at McGill & Mila under supervision of William Hamilton. Driven by a deep passion for advancing well-being through algorithms, he dedicates himself to AI research for protein design. His research focuses on AI for de novo enzyme design for disease treatments. He is also actively looking for PhD positions, where he aims to make AI for protein design more impactful in developing real-world therapeutic solutions.