Drug Design

Showing 521 to 530 of 632 articles
Clear Filters

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...
(1)
HIV Envelope Protein gp120 Protein Engineering Computer Simulation Artificial Intelligence Single-Domain Antibodies Drug Design Humans
View on PubMed DOI

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...
(1)
Drug Design Proteolysis Proteolysis Targeting Chimera Ligands Deep Learning
View on PubMed DOI

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...
(1)
Humans Drug Design Artificial Intelligence Proteins Computational Biology
View on PubMed DOI

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...
(1)
Antibody Affinity Deep Learning Drug Design Antibodies Computational Biology Humans
View on PubMed DOI

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...
Molecular Structure Models, Molecular Software Machine Learning Drug Design Neural Networks, Computer Algorithms Artificial Intelligence
View on PubMed DOI

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...
Humans Peptides Drug Design Machine Learning Artificial Intelligence Computational Biology Drug Discovery
View on PubMed DOI

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 ...
(1)
Drug Design Neural Networks, Computer
View on PubMed DOI

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 Development Drug Design Artificial Intelligence Drug Discovery Drug Delivery Systems
View on PubMed DOI

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...
(1)
Protein Binding Deep Learning Ligands Proteins Drug Design
View on PubMed DOI

Prediction of protein-ligand binding affinity via deep learning models.

Briefings in bioinformatics Jan 22, 2024
Accurately predicting the binding affinity between proteins and ligands is crucial in drug screening and optimization, but it is still a challenge in computer-aided drug design. The recent success of AlphaFold2 in predicting protein structures has br...
(1)
Drug Evaluation, Preclinical Drug Design Databases, Factual Ligands Deep Learning
View on PubMed DOI
Popular Topics
Recent Journals