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Yang Yu

3PUBLICATIONS

4CO-AUTHORS

Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsDeep learning

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Publications (3)

Sort by Publication Date:

|Mar 27, 2024

A dual diffusion model enables 3D molecule generation and lead optimization based on target pockets.

Lei Huang, Tingyang Xu, Yang Yu

|Mar 16, 2023

Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.

Yang Yu, Junhong Huang, Hu He

|Sep 13, 2021

A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 Inhibitors.

Yang Yu, Tingyang Xu, Jiawen Li

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Frequent Collaborators

2 joint publications

Hailong Li

1 joint publications

Lei Huang

1 joint publications

Ka-Chun Wong

1 joint publications

Hengtong Zhang

Frequent Collaborators

2 joint publications

Hailong Li

1 joint publications

Lei Huang

1 joint publications

Ka-Chun Wong

1 joint publications

Hengtong Zhang

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