AI Medical Compendium Topic

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Antibodies

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Accelerating antibody discovery and optimization with high-throughput experimentation and machine learning.

Journal of biomedical science
The integration of high-throughput experimentation and machine learning is transforming data-driven antibody engineering, revolutionizing the discovery and optimization of antibody therapeutics. These approaches employ extensive datasets comprising a...

AI-driven antibody design with generative diffusion models: current insights and future directions.

Acta pharmacologica Sinica
Therapeutic antibodies are at the forefront of biotherapeutics, valued for their high target specificity and binding affinity. Despite their potential, optimizing antibodies for superior efficacy presents significant challenges in both monetary and t...

Deep learning-based design and experimental validation of a medicine-like human antibody library.

Briefings in bioinformatics
Antibody generation requires the use of one or more time-consuming methods, namely animal immunization, and in vitro display technologies. However, the recent availability of large amounts of antibody sequence and structural data in the public domain...

ParaAntiProt provides paratope prediction using antibody and protein language models.

Scientific reports
Efficiently predicting the paratope holds immense potential for enhancing antibody design, treating cancers and other serious diseases, and advancing personalized medicine. Although traditional methods are highly accurate, they are often time-consumi...

Prediction of antibody-antigen interaction based on backbone aware with invariant point attention.

BMC bioinformatics
BACKGROUND: Antibodies play a crucial role in disease treatment, leveraging their ability to selectively interact with the specific antigen. However, screening antibody gene sequences for target antigens via biological experiments is extremely time-c...

The Application of Machine Learning on Antibody Discovery and Optimization.

Molecules (Basel, Switzerland)
Antibodies play critical roles in modern medicine, serving as diagnostics and therapeutics for various diseases due to their ability to specifically bind to target antigens. Traditional antibody discovery and optimization methods are time-consuming a...

ANTIPASTI: Interpretable prediction of antibody binding affinity exploiting normal modes and deep learning.

Structure (London, England : 1993)
The high binding affinity of antibodies toward their cognate targets is key to eliciting effective immune responses, as well as to the use of antibodies as research and therapeutic tools. Here, we propose ANTIPASTI, a convolutional neural network mod...

Challenges and compromises: Predicting unbound antibody structures with deep learning.

Current opinion in structural biology
Therapeutic antibodies are manufactured, stored and administered in the free state; this makes understanding the unbound form key to designing and improving development pipelines. Prediction of unbound antibodies is challenging, specifically modellin...

Development of an mPBPK machine learning framework for early target pharmacology assessment of biotherapeutics.

Scientific reports
Development of antibodies often begins with the assessment and optimization of their physicochemical properties, and their efficient engagement with the target of interest. Decisions at the early optimization stage are critical for the success of the...

AI-augmented physics-based docking for antibody-antigen complex prediction.

Bioinformatics (Oxford, England)
MOTIVATION: Predicting the structure of antibody-antigen complexes is a challenging task with significant implications for the design of better antibody therapeutics. However, the levels of success have remained dauntingly low, particularly when high...