AIMC Topic: Proteins

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Protein profile pattern analysis: A multifarious, in vitro diagnosis technique for universal screening.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
Universal health care is attracting increased attention nowadays, because of the large increase in population all over the world, and a similar increase in life expectancy, leading to an increase in the incidence of non-communicable (various cancers,...

MEnTaT: A machine-learning approach for the identification of mutations to increase protein stability.

Proceedings of the National Academy of Sciences of the United States of America
Enhancing protein thermal stability is important for biomedical and industrial applications as well as in the research laboratory. Here, we describe a simple machine-learning method which identifies amino acid substitutions that contribute to thermal...

Multi-domain and complex protein structure prediction using inter-domain interactions from deep learning.

Communications biology
Accurately capturing domain-domain interactions is key to understanding protein function and designing structure-based drugs. Although AlphaFold2 has made a breakthrough on single domain, it should be noted that the structure modeling for multi-domai...

Environmental Impacts of Machine Learning Applications in Protein Science.

Cold Spring Harbor perspectives in biology
Computing tools and machine learning models play an increasingly important role in biology and are now an essential part of discoveries in protein science. The growing energy needs of modern algorithms have raised concerns in the computational scienc...

MaTPIP: A deep-learning architecture with eXplainable AI for sequence-driven, feature mixed protein-protein interaction prediction.

Computer methods and programs in biomedicine
BACKGROUND AND OBJECTIVE: Protein-protein interaction (PPI) is a vital process in all living cells, controlling essential cell functions such as cell cycle regulation, signal transduction, and metabolic processes with broad applications that include ...

Geometric Graph Learning to Predict Changes in Binding Free Energy and Protein Thermodynamic Stability upon Mutation.

The journal of physical chemistry letters
Accurate prediction of binding free energy changes upon mutations is vital for optimizing drugs, designing proteins, understanding genetic diseases, and cost-effective virtual screening. While machine learning methods show promise in this domain, ach...

In silico evolution of autoinhibitory domains for a PD-L1 antagonist using deep learning models.

Proceedings of the National Academy of Sciences of the United States of America
There has been considerable progress in the development of computational methods for designing protein-protein interactions, but engineering high-affinity binders without extensive screening and maturation remains challenging. Here, we test a protein...

Intelligent Protein Design and Molecular Characterization Techniques: A Comprehensive Review.

Molecules (Basel, Switzerland)
In recent years, the widespread application of artificial intelligence algorithms in protein structure, function prediction, and de novo protein design has significantly accelerated the process of intelligent protein design and led to many noteworthy...

Machine learning-based approaches for ubiquitination site prediction in human proteins.

BMC bioinformatics
Protein ubiquitination is a critical post-translational modification (PTMs) involved in numerous cellular processes. Identifying ubiquitination sites (Ubi-sites) on proteins offers valuable insights into their function and regulatory mechanisms. Due ...

PepCNN deep learning tool for predicting peptide binding residues in proteins using sequence, structural, and language model features.

Scientific reports
Protein-peptide interactions play a crucial role in various cellular processes and are implicated in abnormal cellular behaviors leading to diseases such as cancer. Therefore, understanding these interactions is vital for both functional genomics and...