AI Medical Compendium Journal:
Protein science : a publication of the Protein Society

Showing 1 to 10 of 35 articles

KEGG mapping tools for uncovering hidden features in biological data.

Protein science : a publication of the Protein Society
In contrast to artificial intelligence and machine learning approaches, KEGG (https://www.kegg.jp) has relied on human intelligence to develop "models" of biological systems, especially in the form of KEGG pathway maps that are manually created by ca...

A hierarchical deep learning based approach for multi-functional enzyme classification.

Protein science : a publication of the Protein Society
Enzymes are critical proteins in every organism. They speed up essential chemical reactions, help fight diseases, and have a wide use in the pharmaceutical and manufacturing industries. Wet lab experiments to figure out an enzyme's function are time ...

EDock-ML: A web server for using ensemble docking with machine learning to aid drug discovery.

Protein science : a publication of the Protein Society
EDock-ML is a web server that facilitates the use of ensemble docking with machine learning to help decide whether a compound is worthwhile to be considered further in a drug discovery process. Ensemble docking provides an economical way to account f...

The ImageJ ecosystem: Open-source software for image visualization, processing, and analysis.

Protein science : a publication of the Protein Society
For decades, biologists have relied on software to visualize and interpret imaging data. As techniques for acquiring images increase in complexity, resulting in larger multidimensional datasets, imaging software must adapt. ImageJ is an open-source i...

Improving protein-protein interactions prediction accuracy using protein evolutionary information and relevance vector machine model.

Protein science : a publication of the Protein Society
Predicting protein-protein interactions (PPIs) is a challenging task and essential to construct the protein interaction networks, which is important for facilitating our understanding of the mechanisms of biological systems. Although a number of high...

GRU4ACE: Enhancing ACE inhibitory peptide prediction by integrating gated recurrent unit with multi-source feature embeddings.

Protein science : a publication of the Protein Society
Accurate identification of angiotensin-I-converting enzyme (ACE) inhibitory peptides is essential for understanding the primary factor regulating the renin-angiotensin system and guiding the development of new drug candidates. Given the inherent chal...

PackPPI: An integrated framework for protein-protein complex side-chain packing and ΔΔG prediction based on diffusion model.

Protein science : a publication of the Protein Society
Deep learning methods have played an increasingly pivotal role in advancing side-chain packing and mutation effect prediction (ΔΔG) for protein complexes. Although these two tasks are inherently closely related, they are typically treated separately ...

CaML: Chemistry-informed machine learning explains mutual changes between protein conformations and calcium ions in calcium-binding proteins using structural and topological features.

Protein science : a publication of the Protein Society
Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression...

AFFIPred: AlphaFold2 structure-based Functional Impact Prediction of missense variations.

Protein science : a publication of the Protein Society
Protein structure holds immense potential for pathogenicity prediction, albeit structure-based predictors are limited compared to the sequence-based counterparts due to the "structure knowledge gap" between large number of available protein sequences...

AggNet: Advancing protein aggregation analysis through deep learning and protein language model.

Protein science : a publication of the Protein Society
Protein aggregation is critical to various biological and pathological processes. Besides, it is also an important property in biotherapeutic development. However, experimental methods to profile protein aggregation are costly and labor-intensive, dr...