Deep Learning Approaches for the Prediction of Protein Functional Sites

Knowing which residues of a protein are important for its function is of paramount importance for understanding the molecular basis of this function and devising ways of modifying it for medical or biotechnological applications. Due to the difficulty in detecting these residues experimentally, predi...

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Main Authors: Borja Pitarch, Florencio Pazos
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/30/2/214
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author Borja Pitarch
Florencio Pazos
author_facet Borja Pitarch
Florencio Pazos
author_sort Borja Pitarch
collection DOAJ
description Knowing which residues of a protein are important for its function is of paramount importance for understanding the molecular basis of this function and devising ways of modifying it for medical or biotechnological applications. Due to the difficulty in detecting these residues experimentally, prediction methods are essential to cope with the sequence deluge that is filling databases with uncharacterized protein sequences. Deep learning approaches are especially well suited for this task due to the large amounts of protein sequences for training them, the trivial codification of this sequence data to feed into these systems, and the intrinsic sequential nature of the data that makes them suitable for language models. As a consequence, deep learning-based approaches are being applied to the prediction of different types of functional sites and regions in proteins. This review aims to give an overview of the current landscape of methodologies so that interested users can have an idea of which kind of approaches are available for their proteins of interest. We also try to give an idea of how these systems work, as well as explain their limitations and high dependence on the training set so that users are aware of the quality of expected results.
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spelling doaj-art-ba661de4af724f739ce46a870e6c2e782025-01-24T13:43:08ZengMDPI AGMolecules1420-30492025-01-0130221410.3390/molecules30020214Deep Learning Approaches for the Prediction of Protein Functional SitesBorja Pitarch0Florencio Pazos1Computational Systems Biology Group, National Center for Biotechnology (CNB-CSIC), 28049 Madrid, SpainComputational Systems Biology Group, National Center for Biotechnology (CNB-CSIC), 28049 Madrid, SpainKnowing which residues of a protein are important for its function is of paramount importance for understanding the molecular basis of this function and devising ways of modifying it for medical or biotechnological applications. Due to the difficulty in detecting these residues experimentally, prediction methods are essential to cope with the sequence deluge that is filling databases with uncharacterized protein sequences. Deep learning approaches are especially well suited for this task due to the large amounts of protein sequences for training them, the trivial codification of this sequence data to feed into these systems, and the intrinsic sequential nature of the data that makes them suitable for language models. As a consequence, deep learning-based approaches are being applied to the prediction of different types of functional sites and regions in proteins. This review aims to give an overview of the current landscape of methodologies so that interested users can have an idea of which kind of approaches are available for their proteins of interest. We also try to give an idea of how these systems work, as well as explain their limitations and high dependence on the training set so that users are aware of the quality of expected results.https://www.mdpi.com/1420-3049/30/2/214protein functionprotein functional sitedeep learning
spellingShingle Borja Pitarch
Florencio Pazos
Deep Learning Approaches for the Prediction of Protein Functional Sites
Molecules
protein function
protein functional site
deep learning
title Deep Learning Approaches for the Prediction of Protein Functional Sites
title_full Deep Learning Approaches for the Prediction of Protein Functional Sites
title_fullStr Deep Learning Approaches for the Prediction of Protein Functional Sites
title_full_unstemmed Deep Learning Approaches for the Prediction of Protein Functional Sites
title_short Deep Learning Approaches for the Prediction of Protein Functional Sites
title_sort deep learning approaches for the prediction of protein functional sites
topic protein function
protein functional site
deep learning
url https://www.mdpi.com/1420-3049/30/2/214
work_keys_str_mv AT borjapitarch deeplearningapproachesforthepredictionofproteinfunctionalsites
AT florenciopazos deeplearningapproachesforthepredictionofproteinfunctionalsites