Jinfeng Liu

State Key Laboratory Of Natural Medicines
Nanjing, 210009, China

Last Updated: 09/26/2026

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Found 29 publications

M3Hep: a multimodal hepatotoxicity prediction model combining mitochondrial toxicity and masking strategy.

M3Hep: a multimodal hepatotoxicity prediction model combining mitochondrial toxicity and masking strategy.

Journal: Toxicology mechanisms and methods

Published: November 11, 2025

Structure making and breaking effects of ions on the anomalous diffusion of water revealed by machine learning potentials.

Structure making and breaking effects of ions on the anomalous diffusion of water revealed by machine learning potentials.

Journal: Physical chemistry chemical physics : PCCP

Published: June 02, 2025

EvoNB: A protein language model-based workflow for nanobody mutation prediction and optimization.

EvoNB: A protein language model-based workflow for nanobody mutation prediction and optimization.

Journal: Journal of pharmaceutical analysis

Published: November 01, 2024

Structure-based virtual screening of novel chitin synthase inhibitors for the control of Phytophthora sojae.

Structure-based virtual screening of novel chitin synthase inhibitors for the control of Phytophthora sojae.

Journal: Pest management science

Published: July 27, 2024

An Efficient Approach to the Accurate Prediction of Mutational Effects in Antigen Binding to the MHC1.

An Efficient Approach to the Accurate Prediction of Mutational Effects in Antigen Binding to the MHC1.

Journal: Molecules (Basel, Switzerland)

Published: December 25, 2023

Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening.

Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening.

Journal: Journal of chemical information and modeling

Published: October 26, 2023

Different pKa Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly.

Different pKa Shifts of Internal GLU8 in Human β-Endorphin Amyloid Revealing a Coupling of Internal Ionization and Stepwise Fibril Disassembly.

Journal: The journal of physical chemistry. B

Published: January 25, 2023

Toward High-level Machine Learning Potential for Water Based on Quantum Fragmentation and Neural Networks.

Toward High-level Machine Learning Potential for Water Based on Quantum Fragmentation and Neural Networks.

Journal: The journal of physical chemistry. A

Published: June 09, 2022

Lanthanide Metal-Organic Framework-Based Fluorescent Sensor Arrays to Discriminate and Quantify Ingredients of Natural Medicine.

Lanthanide Metal-Organic Framework-Based Fluorescent Sensor Arrays to Discriminate and Quantify Ingredients of Natural Medicine.

Journal: Langmuir : the ACS journal of surfaces and colloids

Published: April 22, 2021

Directional Proton Transfer in the Reaction of the Simplest Criegee Intermediate with Water Involving the Formation of Transient H3O.

Directional Proton Transfer in the Reaction of the Simplest Criegee Intermediate with Water Involving the Formation of Transient H3O.

Journal: The journal of physical chemistry letters

Published: March 30, 2021

Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21.

Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21.

Journal: Nature communications

Published: March 24, 2021

Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids.

Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids.

Journal: Physical chemistry chemical physics : PCCP

Published: May 28, 2020

Showing 1-12 of 29

Last Updated: 09/26/2026