Article

Revolutionizing GPCR-Ligand Predictions: DeepGPCR with experimental Validation for High-Precision Drug Discovery

2024-02-26

Abstract excerpt

G-protein coupled receptors (GPCRs), crucial in various diseases, are targeted of over 40% of approved drugs. However, the reliable acquisition of experimental GPCRs structures is hindered by their lipid-embedded conformations. Traditional protein-ligand interaction models falter in GPCR-drug interactions, caused by limited and low-quality structures. Generalized models, trained on soluble protein-ligand pairs, ar...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: c6295dbf-1801-5292-8f02-0e96b2df00a4
DOI: 10.1101/2024.02.25.581988

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Revolutionizing GPCR-Ligand Predictions: DeepGPCR with experimental Validation for High-Precision Drug DiscoveryDOI 10.1101/2024.02.25.581988Read

BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects across Class A GPCRs.Semantic proximity Read

PRECOGx: exploring GPCR signaling mechanisms with deep protein representations.Semantic proximity Read

Geometric-Evolutionary Deep Learning Decodes the Human GPCR-Metabolome Interactome and Enables Systematic De-OrphanizationSemantic proximity Read

Learning the Drug-Target Interaction LexiconSemantic proximity Read

DeepLPI: a novel deep learning-based model for protein-ligand interaction prediction for drug repurposingSemantic proximity Read

Deep contrastive learning enables genome-wide virtual screeningSemantic proximity Read

CPGL: Prediction of compound-protein interaction by integrating graph attention network with long short-term memory neural networkSemantic proximity Read

Enhancing Challenging Target Screening via Multimodal Protein-Ligand Contrastive LearningSemantic proximity Read

Genome-wide Prediction of Small Molecule Binding to Remote Orphan Proteins Using Distilled Sequence Alignment EmbeddingSemantic proximity Read

Identification of targets for drug repurposing to treat COVID-19 using a Deep Learning Neural NetworkSemantic proximity Read

DrugTar Improves Druggability Prediction by Integrating Large Language Models and Gene OntologiesSemantic proximity Read

CASTER-DTA: Equivariant Graph Neural Networks for Predicting Drug-Target AffinitySemantic proximity Read