Wutong Xue

Research Interests

Driven by artificial intelligence, my research is dedicated to pioneering intelligent drug design. I am committed to translating technological advancements into real-world benefits for people’s health, striving to bring innovative solutions to the modern healthcare landscape. Some of my current work includes:

1. MogaDock: A Molecular Docking Program

MogaDock uses multi-objective differential evolution algorithm for sampling, and uses a unique coding method to comprehensively describe the 3-dimensional conformational degrees of freedom of ligands.

2. Agent-Driven Drug Screening

We pre-construct simulation models to provide tools for the agents. The agents are designed to autonomously decide and screen using the simulation models and a series of tools, feedback eligible target drug candidates, and provide relevant explanations.