Article

Enhancing Challenging Target Screening via Multimodal Protein-Ligand Contrastive Learning

2024-08-22

Abstract excerpt

Recent advancements in genomics and proteomics have identified numerous clinically significant protein targets, with notably 85% categorized as undruggable. These targets present widespread challenges due to their complex structures and dynamics, rendering conventional drug design strategies not always effective. In this study, we introduce Uni-Clip, a contrastive learning framework that incorporates multi-modal f...

Topics

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

Identifiers and source

Literature Corpus work: fec0a044-bc3f-5b98-ac57-5c2c78eaa694
DOI: 10.1101/2024.08.22.609123

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Enhancing Challenging Target Screening via Multimodal Protein-Ligand Contrastive LearningDOI 10.1101/2024.08.22.609123Read

Deep contrastive learning enables genome-wide virtual screeningSemantic proximity Read

Structure-free, site-resolved contrastive learning extends small-molecule discovery beyond the reach of structure-based modelingSemantic proximity Read

Pan–Pharmacological Drug–Target Interaction Prediction with 3D–Informed Protein Encoding at ScaleSemantic proximity Read

USP-ddG: a unified structural paradigm with data efficacy and mixture-of-experts for predicting mutational effects on protein-protein interactions.Semantic proximity Read

Learning the Drug-Target Interaction LexiconSemantic proximity Read

Enhancing Generalizability in Protein-Ligand Binding Affinity Prediction with Multimodal Contrastive Learning.Semantic proximity Read

Exploration of Dark Chemical Genomics Space via Portal Learning: Applied to Targeting the Undruggable Genome and COVID-19 Anti-Infective PolypharmacologySemantic proximity Read

CliPepPI: Scalable prediction of domain-peptide specificity using contrastive learningSemantic proximity Read

MutPPI+: a multimodal framework for predicting mutation effects on protein-protein interactions via mutation-path-based data augmentation.Semantic proximity Read

Hallucinating structure-conditioned antibody libraries for target-specific bindersSemantic proximity Read

Hallucinating structure-conditioned antibody libraries for target-specific bindersSemantic proximity Read

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