BiochemistrybioRxivPreprint
EnzySeek: Efficient Exploration of Enzyme Reaction Pathways Using AI Agents
Kang Xu, Tao Yu, Kangwei Xu…·Rongjie Wu
EnzySeek is an AI agent that automates enzyme catalysis simulations using a knowledge base, customized interfaces, and QM/MM calculations, validated by human experts.
1 citation