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Databases, Protein

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Alg-MFDL: A multi-feature deep learning framework for allergenic proteins prediction.

Analytical biochemistry
The escalating global incidence of allergy patients illustrates the growing impact of allergic issues on global health. Allergens are small molecule antigens that trigger allergic reactions. A widely recognized strategy for allergy prevention involve...

Screening of BindingDB database ligands against EGFR, HER2, Estrogen, Progesterone and NF-κB receptors based on machine learning and molecular docking.

Computers in biology and medicine
Breast cancer, the second most prevalent cancer among women worldwide, necessitates the exploration of novel therapeutic approaches. To target the four subgroups of breast cancer "hormone receptor-positive and HER2-negative, hormone receptor-positive...

Generative AI Models for the Protein Scaffold Filling Problem.

Journal of computational biology : a journal of computational molecular cell biology
De novo protein sequencing is an important problem in proteomics, playing a crucial role in understanding protein functions, drug discovery, design and evolutionary studies, etc. Top-down and bottom-up tandem mass spectrometry are popular approaches ...

VotePLMs-AFP: Identification of antifreeze proteins using transformer-embedding features and ensemble learning.

Biochimica et biophysica acta. General subjects
Antifreeze proteins (AFPs) are a unique class of biomolecules capable of protecting other proteins, cell membranes, and cellular structures within organisms from damage caused by freezing conditions. Given the significance of AFPs in various domains ...

GraphPI: Efficient Protein Inference with Graph Neural Networks.

Journal of proteome research
The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of extensively labeled ...

Stacking based ensemble learning framework for identification of nitrotyrosine sites.

Computers in biology and medicine
Protein nitrotyrosine is an essential post-translational modification that results from the nitration of tyrosine amino acid residues. This modification is known to be associated with the regulation and characterization of several biological function...

Dataset from a human-in-the-loop approach to identify functionally important protein residues from literature.

Scientific data
We present a novel system that leverages curators in the loop to develop a dataset and model for detecting structure features and functional annotations at residue-level from standard publication text. Our approach involves the integration of data fr...

Impact of Multi-Factor Features on Protein Secondary Structure Prediction.

Biomolecules
Protein secondary structure prediction (PSSP) plays a crucial role in resolving protein functions and properties. Significant progress has been made in this field in recent years, and the use of a variety of protein-related features, including amino ...

DeepDBS: Identification of DNA-binding sites in protein sequences by using deep representations and random forest.

Methods (San Diego, Calif.)
Interactions of biological molecules in organisms are considered to be primary factors for the lifecycle of that organism. Various important biological functions are dependent on such interactions and among different kinds of interactions, the protei...

EnzChemRED, a rich enzyme chemistry relation extraction dataset.

Scientific data
Expert curation is essential to capture knowledge of enzyme functions from the scientific literature in FAIR open knowledgebases but cannot keep pace with the rate of new discoveries and new publications. In this work we present EnzChemRED, for Enzym...