Mingyuan Xu

9PUBLICATIONS
17CO-AUTHORS
Powder and particle technologyBiomolecular modelling and designBioinformatic methods developmentComputational chemistry
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Publications (9)

|Jul 30, 2026
Design of Synthesizable PROTACs through Synthesis Constrained Generative Model and Reinforcement Learning.

|Jun 15, 2026
EC-Dock: A Fast Equivariant Consistency Model for Molecular Docking and Virtual Screening.

|May 04, 2026
Integrating Machine Learning Interatomic Potentials with MMPBSA for Accurate Protein-Ligand Binding Free Energy Calculations.

|Jul 16, 2025
A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors.

Anjie Qiao, Yuting Chen, Junjie Xie

|Dec 04, 2024
How Good are Current Pocket-Based 3D Generative Models?: The Benchmark Set and Evaluation of Protein Pocket-Based 3D Molecular Generative Models.

Haoyang Liu, Yifei Qin, Zhangming Niu

|Jan 19, 2024
GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning.

Hao Zhang, Jinchao Huang, Junjie Xie

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Frequent Collaborators

4 joint publications

Yuedong Yang

4 joint publications

Jinping Lei

3 joint publications

Hongming Chen

2 joint publications

Ting Ran