Yi He

Key Laboratory For Molecular Enzymology And Engineering Of Ministry Of Education, Qianjin Road 2699
Changchun, 130012, China

Last Updated: 09/26/2026

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Found 22 publications

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

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

Risk sources quantitative identification of heavy metals in coal mining hinterland river sediments, Northern China.

Risk sources quantitative identification of heavy metals in coal mining hinterland river sediments, Northern China.

Journal: Scientific reports
Published: September 29, 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

Computational evolution of poly(U) polymerase for efficient and controlled RNA oligonucleotide synthesis.

Computational evolution of poly(U) polymerase for efficient and controlled RNA oligonucleotide synthesis.

Journal: Nucleic acids research
Published: July 24, 2025

Screening and analysis of malt pentapeptide DPP-IV inhibitory activity.

Screening and analysis of malt pentapeptide DPP-IV inhibitory activity.

Journal: NPJ science of food
Published: May 02, 2025

Prediction of Umami Peptides Based on a Large Language Model of Proteins.

Prediction of Umami Peptides Based on a Large Language Model of Proteins.

Journal: Journal of chemical information and modeling
Published: April 11, 2025

Deep learning-based dipeptidyl peptidase IV inhibitor screening, experimental validation, and GaMD/LiGaMD analysis.

Deep learning-based dipeptidyl peptidase IV inhibitor screening, experimental validation, and GaMD/LiGaMD analysis.

Journal: BMC biology
Published: November 09, 2024

Unveiling drug-induced osteotoxicity: A machine learning approach and webserver.

Unveiling drug-induced osteotoxicity: A machine learning approach and webserver.

Journal: Journal of hazardous materials
Published: October 24, 2024

Database, prediction, and antibacterial research of astringency based on large language models.

Database, prediction, and antibacterial research of astringency based on large language models.

Journal: Computers in biology and medicine
Published: August 18, 2024

NRIMD, a Web Server for Analyzing Protein Allosteric Interactions Based on Molecular Dynamics Simulation.

NRIMD, a Web Server for Analyzing Protein Allosteric Interactions Based on Molecular Dynamics Simulation.

Journal: Journal of chemical information and modeling
Published: July 11, 2024

Pred5AOP: an efficient screening of food-derived antioxidant peptides based on deep learning, molecular docking, and experimental validation.

Pred5AOP: an efficient screening of food-derived antioxidant peptides based on deep learning, molecular docking, and experimental validation.

Journal: Food chemistry
Published: June 10, 2024
Showing 1-12 of 22

Last Updated: 09/26/2026