A Multimodal Deep Learning Framework for Predicting PPI-Modulator Interactions | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac… JCIM & JCTC Journals

MOASL: Predicting drug mechanism of action through similarity learning... sciencedirect.com/science/articl…

Local Scaffold Diversity-Contributed Generator for Discovering Potential NLRP3 Inhibitors | Journal of Chemical Information and Modeling JCIM & JCTC Journals pubs.acs.org/doi/10.1021/ac…

Excited to share my latest research work. Exploring the conformational space of protein-protein complex with transformer-based generative model biorxiv.org/content/10.110… #bioRxiv #Transformers #moleculardynamics #PPI

A bidirectional interpretable compound-protein interaction prediction framework based on cross attention sciencedirect.com/science/articl…

Collection(GitHub): Deep Learning and Generative AI for Molecular Conformation Generation, Molecular Design and Drug Design. github.com/AspirinCode/pa…

🎉 Celebrating 1000 stars on our GitHub repository! 🌟 A repo for recording papers of Deep Learning for Protein Design. Join us in advancing computational biology! Check it out: github.com/Peldom/papers_… #DeepLearning #ProteinDesign

Read this #preprint on Research Square: Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model researchsquare.com/article/rs-384…

DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation academic.oup.com/bfg/article-ab…

Collection(GitHub): Deep Learning and Generative AI for protein( and PPIs) conformations and molecular dynamics github.com/AspirinCode/aw…

FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins JCIM & JCTC Journals pubs.acs.org/doi/10.1021/ac…

Due to the breakthrough of AlphaFold 3 in predicting the structures and interactions of biological molecules, I want to collect different tools for folding prediction of biomolecules. #AlphaFold3 github.com/AspirinCode/aw…

📢 Exciting Research News! We're excited to share our latest publication in the Journal of Chemical Theory and Computation (JCTC): "Exploring the conformational ensembles of protein-protein complex with transformer-based generative model" JCIM & JCTC Journals pubs.acs.org/doi/10.1021/ac…

Introducing enzymatic cleavage features and transfer learning realizes accurate peptide half-life prediction across species and organs Briefings in Bioinformatics doi.org/10.1093/bib/bb…

An Image-enhanced Molecular Graph Representation Learning Framework #IJCAI2024 IJCAIconf doi.org/10.24963/ijcai…

Predicting mutation-disease associations through protein interactions via deep learning bioRxiv bioRxiv Bioinfo biorxiv.org/content/10.110…

Updating !!! Collection(GitHub): Deep Learning and Generative AI for molecules ( small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) github.com/AspirinCode/aw…