AIMC Topic: Proteins

Clear Filters Showing 121 to 130 of 1967 articles

PPILS: Protein-protein interaction prediction with language of biological coding.

Computers in biology and medicine Jan 19, 2025
Protein-protein interactions within a cell are essential for various fundamental biological processes. Computational techniques have arisen in bioinformatics due to the challenging and resource-intensive nature of experimental protein pair interactio...
Humans Machine Learning Protein Interaction Maps Databases, Protein Protein Interaction Mapping Computational Biology Proteins
View on PubMed DOI

Structure-Based Approaches for Protein-Protein Interaction Prediction Using Machine Learning and Deep Learning.

Biomolecules Jan 17, 2025
Protein-Protein Interaction (PPI) prediction plays a pivotal role in understanding cellular processes and uncovering molecular mechanisms underlying health and disease. Structure-based PPI prediction has emerged as a robust alternative to sequence-ba...
Protein Conformation Humans Deep Learning Proteomics Computational Biology Protein Interaction Mapping Machine Learning Proteins
View on PubMed DOI

Active Learning to Select the Most Suitable Reagents and One-Step Organic Chemistry Reactions for Prioritizing Target-Specific Hits from Ultralarge Chemical Spaces.

Journal of chemical information and modeling Jan 16, 2025
Designing chemically novel and synthesizable ligands from the largest possible chemical space is a major issue in modern drug discovery to identify early hits that are easily amenable to medicinal chemistry optimization. Starting from the sole three-...
Machine Learning Molecular Docking Simulation Proteins Ligands Indicators and Reagents Drug Discovery
View on PubMed DOI

Targeting protein-ligand neosurfaces with a generalizable deep learning tool.

Nature Jan 15, 2025
Molecular recognition events between proteins drive biological processes in living systems. However, higher levels of mechanistic regulation have emerged, in which protein-protein interactions are conditioned to small molecules. Despite recent advanc...
Proteins Drug Design Models, Molecular Deep Learning Proto-Oncogene Proteins c-bcl-2 Protein Binding Bridged Bicyclo Compounds, Heterocyclic Ligands Humans
View on PubMed DOI

Integrating CNN and Bi-LSTM for protein succinylation sites prediction based on Natural Language Processing technique.

Computers in biology and medicine Jan 10, 2025
Protein succinylation, a post-translational modification wherein a succinyl group (-CO-CH₂-CH₂-CO-) attaches to lysine residues, plays a critical regulatory role in cellular processes. Dysregulated succinylation has been implicated in the onset and p...
Proteins Databases, Protein Succinic Acid Natural Language Processing Computational Biology Protein Processing, Post-Translational Humans Neural Networks, Computer
View on PubMed DOI

Identifying Protein-Nucleotide Binding Residues via Grouped Multi-task Learning and Pre-trained Protein Language Models.

Journal of chemical information and modeling Jan 9, 2025
The accurate identification of protein-nucleotide binding residues is crucial for protein function annotation and drug discovery. Numerous computational methods have been proposed to predict these binding residues, achieving remarkable performance. H...
Databases, Protein Nucleotides Protein Binding Proteins Binding Sites Deep Learning
View on PubMed DOI

CovCysPredictor: Predicting Selective Covalently Modifiable Cysteines Using Protein Structure and Interpretable Machine Learning.

Journal of chemical information and modeling Jan 8, 2025
Targeted covalent inhibition is a powerful therapeutic modality in the drug discoverer's toolbox. Recent advances in covalent drug discovery, in particular, targeting cysteines, have led to significant breakthroughs for traditionally challenging targ...
Machine Learning Drug Discovery Proteins Humans Cysteine Ligands Databases, Protein Protein Conformation Models, Molecular
View on PubMed DOI

Meta-Learning Enables Complex Cluster-Specific Few-Shot Binding Affinity Prediction for Protein-Protein Interactions.

Journal of chemical information and modeling Jan 7, 2025
Predicting protein-protein interaction (PPI) binding affinities in unseen protein complex clusters is essential for elucidating complex protein interactions and for the targeted screening of peptide- or protein-based drugs. We introduce MCGLPPI++, a ...
Machine Learning Protein Interaction Mapping Protein Binding Receptors, Antigen, T-Cell Proteins
View on PubMed DOI

Deep Learning Approaches for the Prediction of Protein Functional Sites.

Molecules (Basel, Switzerland) Jan 7, 2025
Knowing which residues of a protein are important for its function is of paramount importance for understanding the molecular basis of this function and devising ways of modifying it for medical or biotechnological applications. Due to the difficulty...
Databases, Protein Binding Sites Humans Deep Learning Sequence Analysis, Protein Computational Biology Proteins
View on PubMed DOI

Data and AI-driven synthetic binding protein discovery.

Trends in pharmacological sciences Jan 3, 2025
Synthetic binding proteins (SBPs) are a class of protein binders that are artificially created and do not exist naturally. Their broad applications in tackling challenges of research, diagnostics, and therapeutics have garnered significant interest. ...
Artificial Intelligence Animals Drug Discovery Humans Proteins Models, Molecular Protein Engineering Protein Binding Computational Biology
View on PubMed DOI
Popular Topics
Recent Journals