Qun Su

79 Qingchun Road
Hangzhou, 310003, China

Last Updated: 09/26/2026

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Found 24 publications

Revisiting Target-Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter.

Revisiting Target-Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter.

Journal: Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Published: March 12, 2026

LaMGen: LLM-based 3D molecular generation for multi-target drug design.

LaMGen: LLM-based 3D molecular generation for multi-target drug design.

Journal: Nature communications

Published: September 19, 2025

A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention.

A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention.

Journal: Nature communications

Published: August 10, 2025

LamNet: an alchemical-path-aware graph neural network to accelerate binding free energy calculations for drug discovery and beyond.

LamNet: an alchemical-path-aware graph neural network to accelerate binding free energy calculations for drug discovery and beyond.

Journal: National science review

Published: July 23, 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

The impact of the urban-rural residents' medical insurance integration on rural residents' out-of-pocket medical costs: based on the deductible, reimbursement rate, and ceiling line.

The impact of the urban-rural residents' medical insurance integration on rural residents' out-of-pocket medical costs: based on the deductible, reimbursement rate, and ceiling line.

Journal: Frontiers in public health

Published: February 14, 2025

Dietary methionine deprivation enhances renal resilience against ischemia-reperfusion injury in mice through modulation of glucose oxidation.

Dietary methionine deprivation enhances renal resilience against ischemia-reperfusion injury in mice through modulation of glucose oxidation.

Journal: Communications biology

Published: December 11, 2024

Robust protein-ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation.

Robust protein-ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation.

Journal: Chemical science

Published: November 01, 2024

3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model.

3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model.

Journal: Chemical science

Published: October 09, 2024

A Multi-Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search.

A Multi-Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search.

Journal: Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Published: September 02, 2024

Token-Mol 1.0: tokenized drug design with large language models.

Token-Mol 1.0: tokenized drug design with large language models.

Journal: Nature communications

Published: August 22, 2024

Showing 1-12 of 24

Last Updated: 09/26/2026