Author

Xufan Gao

Zhejiang UniversityORCID 0009-0004-0065-3172Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Approach:statistical model· 3 Approach:deep learning· 2 Research Focus:drug response / drug discovery· 2 Research Focus:benchmarking· 1 Research Focus:protein folding & dynamics· 1

Frequent Co-Authors

Ruhong ZhouiD· 3 shared Zhaoqi ShiiD· 3 shared Peng Wang· 2 shared Damiano BurattoiD· 1 shared Min XuiD· 1 shared Xuanyi Zhu· 1 shared Y Z Yang· 1 shared Zaixing YangiD· 1 shared

Activity by Year

2025-2026 · peak 2/yr

Co-Author Collaboration Network

8 top collaborators · 23 mutual co-author links

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3 shared papersBiophysics

Ruhong ZhouORCID

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3 papers

Recent·Most cited

MolJam: A Multidimensional Framework for Assessing Molecular Dataset Quality and Its Impact on Machine Learning

Peng Wang, Zhaoqi Shi, Xufan Gao, Ruhong Zhou

MolJam assesses molecular dataset quality across five dimensions and shows that improving quality metrics does not always enhance machine learning performance due to trade-offs with data quantity.

bioRxiv · Aug 25, 2026 · PreprintBioinformatics

PRISM: A High-Throughput Simulation Infrastructure for CADD Agents

Zhaoqi Shi, Xufan Gao, Min Xu, Xuanyi Zhu, Peng Wang, Y Z Yang, Zaixing Yang, Ruhong Zhou

PRISM provides a unified simulation platform for CADD agents, enabling automated workflows for drug screening and identifying potential allosteric inhibition sites.

bioRxiv · Apr 6, 2026 · PreprintBiophysics

A Robust Computational Framework for the Optimization of CDK7 Inhibitors as Promising Cancer Therapy

Zhaoqi Shi, Xufan Gao, Damiano Buratto, Ruhong Zhou

This study designs non-covalent CDK7 inhibitors using computational methods to improve selectivity and safety compared to THZ1.

The Journal of Physical Chemistry B · Aug 19, 2025Peer-reviewedBiophysics