AIMC Topic: Drug Design

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De novo synthetic antimicrobial peptide design with a recurrent neural network.

Protein science : a publication of the Protein Society Aug 1, 2024
Antibiotic resistance is recognized as an imminent and growing global health threat. New antimicrobial drugs are urgently needed due to the decreasing effectiveness of conventional small-molecule antibiotics. Antimicrobial peptides (AMPs), a class of...
Anti-Bacterial Agents Drug Design Neural Networks, Computer Staphylococcus aureus Antimicrobial Peptides Microbial Sensitivity Tests Escherichia coli
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AI-based IsAb2.0 for antibody design.

Briefings in bioinformatics Jul 25, 2024
Therapeutic antibody design has garnered widespread attention, highlighting its interdisciplinary importance. Advancements in technology emphasize the critical role of designing nanobodies and humanized antibodies in antibody engineering. However, cu...
Computer Simulation Drug Design Humans Artificial Intelligence Single-Domain Antibodies Protein Engineering HIV Envelope Protein gp120
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DiffPROTACs is a deep learning-based generator for proteolysis targeting chimeras.

Briefings in bioinformatics Jul 25, 2024
PROteolysis TArgeting Chimeras (PROTACs) has recently emerged as a promising technology. However, the design of rational PROTACs, especially the linker component, remains challenging due to the absence of structure-activity relationships and experime...
Drug Design Proteolysis Targeting Chimera Deep Learning Ligands Proteolysis
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A survey of generative AI for de novo drug design: new frontiers in molecule and protein generation.

Briefings in bioinformatics May 23, 2024
Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the creation of n...
Humans Artificial Intelligence Computational Biology Proteins Drug Design
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Antibody design using deep learning: from sequence and structure design to affinity maturation.

Briefings in bioinformatics May 23, 2024
Deep learning has achieved impressive results in various fields such as computer vision and natural language processing, making it a powerful tool in biology. Its applications now encompass cellular image classification, genomic studies and drug disc...
Humans Drug Design Deep Learning Computational Biology Antibody Affinity Antibodies
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MvMRL: a multi-view molecular representation learning method for molecular property prediction.

Briefings in bioinformatics May 23, 2024
Effective molecular representation learning is very important for Artificial Intelligence-driven Drug Design because it affects the accuracy and efficiency of molecular property prediction and other molecular modeling relevant tasks. However, previou...
Models, Molecular Molecular Structure Drug Design Artificial Intelligence Machine Learning Neural Networks, Computer Software Algorithms
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Peptide-based drug discovery through artificial intelligence: towards an autonomous design of therapeutic peptides.

Briefings in bioinformatics May 23, 2024
With their diverse biological activities, peptides are promising candidates for therapeutic applications, showing antimicrobial, antitumour and hormonal signalling capabilities. Despite their advantages, therapeutic peptides face challenges such as s...
Drug Discovery Computational Biology Drug Design Humans Artificial Intelligence Machine Learning Peptides
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NGCN: Drug-target interaction prediction by integrating information and feature learning from heterogeneous network.

Journal of cellular and molecular medicine Apr 1, 2024
Drug-target interaction (DTI) prediction is essential for new drug design and development. Constructing heterogeneous network based on diverse information about drugs, proteins and diseases provides new opportunities for DTI prediction. However, the ...
Neural Networks, Computer Drug Design
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Piquing artificial intelligence towards drug discovery: Tools, techniques, and applications.

Drug development research Apr 1, 2024
The purpose of this study was to discuss how artificial intelligence (AI) methods have affected the field of drug development. It looks at how AI models and data resources are reshaping the drug development process by offering more affordable and exp...
Drug Delivery Systems Drug Design Artificial Intelligence Drug Discovery Drug Development
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A new paradigm for applying deep learning to protein-ligand interaction prediction.

Briefings in bioinformatics Mar 27, 2024
Protein-ligand interaction prediction presents a significant challenge in drug design. Numerous machine learning and deep learning (DL) models have been developed to accurately identify docking poses of ligands and active compounds against specific t...
Proteins Ligands Deep Learning Drug Design Protein Binding
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