DeepRLI: a multi-objective framework for universal protein–ligand interaction prediction Article Swipe

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Haoyu Lin , Jintao Zhu , Shiwei Wang , Yibo Li , Jianfeng Pei , Luhua Lai ·

YOU? · · 2025 · Open Access · · DOI: https://doi.org/10.1039/d4dd00403e

DeepRLI is a multi-objective deep learning framework for universal protein–ligand interaction prediction, applicable to binding affinity prediction, molecular docking, and virtual screening tasks, offering better guidance for drug discovery.

Related Topics

Computer Science

Ligand (Biochemistry)

Protein–Protein Interaction

Artificial Intelligence

Computational Biology

Concepts

Computer science Protein ligand Ligand (biochemistry) Protein–protein interaction Component (thermodynamics) Artificial intelligence Computational biology Machine learning Chemistry Biology Biochemistry Physics Receptor Thermodynamics

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Type: article
Language: en
Landing Page: https://doi.org/10.1039/d4dd00403e
PDF: https://pubs.rsc.org/en/content/articlepdf/2025/dd/d4dd00403e
OA Status: diamond
Cited By: 1
References: 83
Related Works: 10
OpenAlex ID: https://openalex.org/W4411504598

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OpenAlex ID: https://openalex.org/W4411504598

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DOI: https://doi.org/10.1039/d4dd00403e

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Title: DeepRLI: a multi-objective framework for universal protein–ligand interaction prediction

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Type: article

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Language: en

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Publication year: 2025

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Publication date: 2025-01-01

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Authors: Haoyu Lin, Jintao Zhu, Shiwei Wang, Yibo Li, Jianfeng Pei, Luhua Lai

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Landing page: https://doi.org/10.1039/d4dd00403e

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Concepts: Computer science, Protein ligand, Ligand (biochemistry), Protein–protein interaction, Component (thermodynamics), Artificial intelligence, Computational biology, Machine learning, Chemistry, Biology, Biochemistry, Physics, Receptor, Thermodynamics

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Cited by: 1

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Citations by year (recent): 2025: 1

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Related works (count): 10

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