Xujun N. Zhang

Hangzhou, China

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 70 publications

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

Journal: Nature protocols

Published: November 19, 2025

Graph Neural Networks in Modern AI-Aided Drug Discovery.

Graph Neural Networks in Modern AI-Aided Drug Discovery.

Journal: Chemical reviews

Published: September 17, 2025

Unlocking the application potential of AlphaFold3-like approaches in virtual screening.

Unlocking the application potential of AlphaFold3-like approaches in virtual screening.

Journal: Chemical science

Published: August 24, 2025

ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction.

ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction.

Journal: Journal of chemical information and modeling

Published: June 18, 2025

LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery.

LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery.

Journal: The journal of physical chemistry letters

Published: June 16, 2025

Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation model.

Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation model.

Journal: Science advances

Published: March 05, 2025

HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexes.

HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexes.

Journal: Nucleic acids research

Published: February 05, 2025

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design.

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design.

Journal: Nature computational science

Published: February 04, 2025

Comprehensive Evaluation of End-Point Free Energy Methods in DNA-Ligand Interaction Predictions.

Comprehensive Evaluation of End-Point Free Energy Methods in DNA-Ligand Interaction Predictions.

Journal: Journal of chemical information and modeling

Published: January 31, 2025

A virtual platform for automated hybrid organic-enzymatic synthesis planning.

A virtual platform for automated hybrid organic-enzymatic synthesis planning.

Journal: Nature communications

Published: January 16, 2025

CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening.

CarsiDock-Cov: A deep learning-guided approach for automated covalent docking and screening.

Journal: Acta pharmaceutica Sinica. B

Published: January 07, 2025

Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation.

Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation.

Journal: Chemical science

Published: December 13, 2024

Showing 1-12 of 70

Last Updated: 09/26/2026