Weiwei Han

Xinmin Street 126#
Changchun, China

Last Updated: 09/26/2026

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Found 131 publications

Modeling Method Based on Traditional Machine Learning and Graph Neural Network for Interpretable Prediction of Short Peptide logD.

Modeling Method Based on Traditional Machine Learning and Graph Neural Network for Interpretable Prediction of Short Peptide logD.

Journal: The journal of physical chemistry. B

Published: April 20, 2026

SRMMP-CharQM, Physics-Informed Deep Learning for Toxicity Prediction: Quantum Mechanical Descriptors Enable Scaffold Hopping in Mitochondrial Membrane Potential Assays.

SRMMP-CharQM, Physics-Informed Deep Learning for Toxicity Prediction: Quantum Mechanical Descriptors Enable Scaffold Hopping in Mitochondrial Membrane Potential Assays.

Journal: The journal of physical chemistry. B

Published: April 08, 2026

Neurotoxicity Prediction of Compounds: Integrating Knowledge-Guided Graph Representations with Machine Learning Approaches.

Neurotoxicity Prediction of Compounds: Integrating Knowledge-Guided Graph Representations with Machine Learning Approaches.

Journal: International journal of molecular sciences

Published: March 11, 2026

Correction: Chen et al. Elucidating the Mechanism of VVTT Infection Through Machine Learning and Transcriptome Analysis. Int. J. Mol. Sci. 2025, 26, 1203.

Correction: Chen et al. Elucidating the Mechanism of VVTT Infection Through Machine Learning and Transcriptome Analysis. Int. J. Mol. Sci. 2025, 26, 1203.

Journal: International journal of molecular sciences

Published: March 04, 2026

PLMCA: A General Multimodal Protein-Ligand Cross-Attention Framework for Pocket Identification and Binding Affinity Prediction.

PLMCA: A General Multimodal Protein-Ligand Cross-Attention Framework for Pocket Identification and Binding Affinity Prediction.

Journal: Journal of medicinal chemistry

Published: January 29, 2026

Machine learning-driven classification of bioactive peptides and their molecular basis for sour taste perception.

Machine learning-driven classification of bioactive peptides and their molecular basis for sour taste perception.

Journal: Journal of dairy science

Published: January 01, 2026

Computational Insights into the Molecular Mechanisms of Coptis chinensis Franch. in Treating Chronic Atrophic Gastritis: An Integrated Network Pharmacology, Machine Learning, and Molecular Dynamics Study.

Computational Insights into the Molecular Mechanisms of Coptis chinensis Franch. in Treating Chronic Atrophic Gastritis: An Integrated Network Pharmacology, Machine Learning, and Molecular Dynamics Study.

Journal: International journal of molecular sciences

Published: November 20, 2025

Patenting biopharmaceutical inventions that use artificial intelligence in China.

Patenting biopharmaceutical inventions that use artificial intelligence in China.

Journal: Nature biotechnology

Published: November 12, 2025

Artificial Intelligence-Aided Virtual Screening and Molecular Dynamics Analysis of Novel Xanthine Oxidase Inhibitory Peptides Derived from Sunflower (Helianthus annuus) Proteins.

Artificial Intelligence-Aided Virtual Screening and Molecular Dynamics Analysis of Novel Xanthine Oxidase Inhibitory Peptides Derived from Sunflower (Helianthus annuus) Proteins.

Journal: Journal of agricultural and food chemistry

Published: November 04, 2025

Virtual screening and validation of dipeptidyl peptidase-IV inhibitory peptides from goat milk: Insights from molecular dynamics simulations and in vitro experiment.

Virtual screening and validation of dipeptidyl peptidase-IV inhibitory peptides from goat milk: Insights from molecular dynamics simulations and in vitro experiment.

Journal: Journal of dairy science

Published: September 11, 2025

Precision in Predicting Protein-Nucleic Acid Complexes: Establishing a Benchmark Data Set and Comparative Metrics.

Precision in Predicting Protein-Nucleic Acid Complexes: Establishing a Benchmark Data Set and Comparative Metrics.

Journal: Journal of chemical information and modeling

Published: September 11, 2025

Interaction mechanisms between β-lactoglobulin and food-grade molecules: Insights from multispectroscopy and molecular dynamics simulations.

Interaction mechanisms between β-lactoglobulin and food-grade molecules: Insights from multispectroscopy and molecular dynamics simulations.

Journal: Journal of dairy science

Published: September 06, 2025

Showing 1-12 of 131

Last Updated: 09/26/2026