Author

Mingan Chen

Chinese Academy of SciencesORCID 0000-0002-8559-3671Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 4 Assay:protein structure· 4 Approach:diffusion model· 2 Approach:deep learning· 1 Approach:graph neural network· 1 Organism:human· 1

Frequent Co-Authors

Duanhua CaoiD· 4 shared Mingyue ZhengiD· 4 shared Runze ZhangiD· 3 shared Sulin ZhangiD· 3 shared Xutong LiiD· 3 shared Zhehuan Fan· 3 shared Wei ZhangiD· 2 shared Xiaomin LuoiD· 2 shared

Activity by Year

2023-2025 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 43 mutual co-author links

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4 shared papersBioinformatics

Duanhua CaoORCID

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4 papers

Recent·Most cited

Advancing Ligand Binding Affinity Prediction with Cartesian Tensor-Based Deep Learning

Jie Yu, Xia Sheng, Zhehuan Fan, Zhaokun Wang, Duanhua Cao, Yongxin Hao, Yingying Zhang, Panpan Shao, Huicong Ma, Tian Cao, Jingxin Rao, Mingan Chen, Kaixian Chen, Xutong Li, Dan Teng, , Mingyue Zheng

PBCNet2.0 predicts protein-ligand binding affinity using a cartesian tensor-based Siamese Neural Network, achieving high accuracy and efficiency compared to physics-based simulations.

bioRxiv · Jun 4, 2025 · PreprintMolecular Biology

SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction

Duanhua Cao, Mingan Chen, Runze Zhang, Zhaokun Wang, Manlin Huang, Jie Yu, Xinyu Jiang, Zhehuan Fan, Wei Zhang, Hao Zhou, Xutong Li, Zunyun Fu, Sulin Zhang, Mingyue Zheng

SurfDock improves protein-ligand complex prediction by integrating multiple protein representations into a diffusion model, achieving higher accuracy and physical plausibility than existing methods.

Nature Methods · Nov 27, 2024Peer-reviewedBioinformatics

PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking

Runze Zhang, Xinyu Jiang, Duanhua Cao, Jie Yu, Mingan Chen, Zhehuan Fan, Xiangtai Kong, Jiacheng Xiong, Zimei Zhang, Wei Zhang, Shengkun Ni, Yitian Wang, Shenghua Gao, Mingyue Zheng

PackDock predicts accurate protein-ligand complex conformations using a diffusion model for side-chain packing, validated through multiple docking experiments.

bioRxiv · Jan 31, 2024 · PreprintBioinformatics

EquiScore: A generic protein-ligand interaction scoring method integrating physical prior knowledge with data augmentation modeling

Duanhua Cao, Geng Chen, Jiaxin Jiang, Jie Yu, Runze Zhang, Mingan Chen, Wei Zhang, Lifan Chen, Feisheng Zhong, Yingying Zhang, Chenghao Lu, Xutong Li, Xiaomin Luo, Sulin Zhang, Mingyue Zheng

EquiScore is a protein-ligand interaction scoring method that outperforms existing methods on external test sets and shows potential for lead compound optimization.

bioRxiv · Jun 18, 2023 · PreprintBioinformatics