AIMC Topic: Protein Interaction Mapping

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AI reveals structures of protein complexes.

Science (New York, N.Y.) Nov 11, 2021
Software Deep Learning Proteins Artificial Intelligence Eukaryota Fungal Proteins Protein Conformation Protein Interaction Mapping
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pdCSM-PPI: Using Graph-Based Signatures to Identify Protein-Protein Interaction Inhibitors.

Journal of chemical information and modeling Nov 1, 2021
Protein-protein interactions are promising sites for development of selective drugs; however, they have generally been viewed as challenging targets. Molecules targeting protein-protein interactions tend to be larger and more lipophilic than other dr...
Machine Learning Software Protein Interaction Mapping
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WinBinVec: Cancer-Associated Protein-Protein Interaction Extraction and Identification of 20 Various Cancer Types and Metastasis Using Different Deep Learning Models.

IEEE journal of biomedical and health informatics Oct 5, 2021
Biophysical protein-protein interactions perform dominant roles in the initiation and progression of many cancer-related pathways. A protein-protein interaction might play different roles in diverse cancer types. Hence, prioritizing the PPIs in each ...
Amino Acid Sequence Protein Interaction Mapping Humans Neural Networks, Computer Computational Biology Proteins Neoplasms Deep Learning
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Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review.

Molecular diversity Jun 10, 2021
Artificial intelligence (AI) renders cutting-edge applications in diverse sectors of society. Due to substantial progress in high-performance computing, the development of superior algorithms, and the accumulation of huge biological and chemical data...
Humans Artificial Intelligence Big Data Protein Binding Models, Theoretical Proteins Algorithms Drug Design Drug Discovery Databases, Pharmaceutical Data Mining Protein Interaction Mapping Protein Folding Structure-Activity Relationship Models, Molecular Workflow
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Retention time prediction using neural networks increases identifications in crosslinking mass spectrometry.

Nature communications May 28, 2021
Crosslinking mass spectrometry has developed into a robust technique that is increasingly used to investigate the interactomes of organelles and cells. However, the incomplete and noisy information in the mass spectra of crosslinked peptides limits t...
Cross-Linking Reagents Chromatography, Reverse-Phase Protein Interaction Mapping Multiprotein Complexes Time Factors Proteomics Neural Networks, Computer Escherichia coli Peptides Chromatography, High Pressure Liquid Tandem Mass Spectrometry Escherichia coli Proteins
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Drug Target Identification with Machine Learning: How to Choose Negative Examples.

International journal of molecular sciences May 12, 2021
Identification of the protein targets of hit molecules is essential in the drug discovery process. Target prediction with machine learning algorithms can help accelerate this search, limiting the number of required experiments. However, Drug-Target I...
Protein Interaction Mapping Support Vector Machine Proteins Pharmaceutical Preparations Humans Drug Discovery Computational Biology Machine Learning Software
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Protein Complexes Detection Based on Semi-Supervised Network Embedding Model.

IEEE/ACM transactions on computational biology and bioinformatics Apr 8, 2021
A protein complex is a group of associated polypeptide chains which plays essential roles in the biological process. Given a graph representing protein-protein interactions (PPI) network, it is critical but non-trivial to detect protein complexes, th...
Supervised Machine Learning Protein Interaction Mapping Computational Biology Cluster Analysis Proteins Algorithms Protein Interaction Maps
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Identification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein-protein interaction-oriented library and machine learning.

Scientific reports Apr 1, 2021
Protein-protein interactions (PPIs) are prospective but challenging targets for drug discovery, because screening using traditional small-molecule libraries often fails to identify hits. Recently, we developed a PPI-oriented library comprising 12,593...
Machine Learning Molecular Docking Simulation Drug Discovery Structure-Activity Relationship Molecular Structure Protein Interaction Maps Protein Binding Humans Protein Interaction Mapping NF-E2-Related Factor 2 Kelch-Like ECH-Associated Protein 1 Binding Sites Molecular Dynamics Simulation Small Molecule Libraries Ligands Molecular Conformation
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New machine learning and physics-based scoring functions for drug discovery.

Scientific reports Feb 4, 2021
Scoring functions are essential for modern in silico drug discovery. However, the accurate prediction of binding affinity by scoring functions remains a challenging task. The performance of scoring functions is very heterogeneous across different tar...
Ligands Protein Interaction Mapping Hydrophobic and Hydrophilic Interactions Humans Drugs, Investigational Software Drug Discovery Datasets as Topic Research Design Support Vector Machine Protease Inhibitors Molecular Docking Simulation Internet Peptide Hydrolases Entropy
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Protein2Vec: Aligning Multiple PPI Networks with Representation Learning.

IEEE/ACM transactions on computational biology and bioinformatics Feb 3, 2021
Research of Protein-Protein Interaction (PPI) Network Alignment is playing an important role in understanding the crucial underlying biological knowledge such as functionally homologous proteins and conserved evolutionary pathways across different sp...
Protein Interaction Mapping Humans Sequence Alignment Machine Learning Animals Algorithms Protein Interaction Maps Computational Biology
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