Challenges in the Computational Modeling of the Protein Structure–Activity Relationship

Living organisms are composed of biopolymers (proteins, nucleic acids, carbohydrates and lipid polymers) that are used to keep or transmit information relevant to the state of these organisms at any given time. In these processes, proteins play a central role by displaying different activities requi...

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Main Author:	Gabriel Del Río
Format:	Article
Language:	English
Published:	MDPI AG 2021-03-01
Series:	Computation
Subjects:	protein structure protein function bijection
Online Access:	https://www.mdpi.com/2079-3197/9/4/39

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spelling	doaj-8f290299c8c04efbaa5c19ef91c1238d2021-03-25T00:05:53ZengMDPI AGComputation2079-31972021-03-019393910.3390/computation9040039Challenges in the Computational Modeling of the Protein Structure–Activity RelationshipGabriel Del Río0Department of Biochemistry and Structural Biology, Institute of Cellular Physiology, UNAM, Mexico City 04510, MexicoLiving organisms are composed of biopolymers (proteins, nucleic acids, carbohydrates and lipid polymers) that are used to keep or transmit information relevant to the state of these organisms at any given time. In these processes, proteins play a central role by displaying different activities required to keep or transmit this information. In this review, I present the current knowledge about the protein sequence–structure–activity relationship and the basis for modeling this relationship. Three representative predictors relevant to the modeling of this relationship are summarized to highlight areas that require further improvement and development. I will describe how a basic understanding of this relationship is fundamental in the development of new methods to design proteins, which represents an area of multiple applications in the areas of health and biotechnology.https://www.mdpi.com/2079-3197/9/4/39protein structureprotein functionbijection
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Gabriel Del Río
spellingShingle	Gabriel Del Río Challenges in the Computational Modeling of the Protein Structure–Activity Relationship Computation protein structure protein function bijection
author_facet	Gabriel Del Río
author_sort	Gabriel Del Río
title	Challenges in the Computational Modeling of the Protein Structure–Activity Relationship
title_short	Challenges in the Computational Modeling of the Protein Structure–Activity Relationship
title_full	Challenges in the Computational Modeling of the Protein Structure–Activity Relationship
title_fullStr	Challenges in the Computational Modeling of the Protein Structure–Activity Relationship
title_full_unstemmed	Challenges in the Computational Modeling of the Protein Structure–Activity Relationship
title_sort	challenges in the computational modeling of the protein structure–activity relationship
publisher	MDPI AG
series	Computation
issn	2079-3197
publishDate	2021-03-01
description	Living organisms are composed of biopolymers (proteins, nucleic acids, carbohydrates and lipid polymers) that are used to keep or transmit information relevant to the state of these organisms at any given time. In these processes, proteins play a central role by displaying different activities required to keep or transmit this information. In this review, I present the current knowledge about the protein sequence–structure–activity relationship and the basis for modeling this relationship. Three representative predictors relevant to the modeling of this relationship are summarized to highlight areas that require further improvement and development. I will describe how a basic understanding of this relationship is fundamental in the development of new methods to design proteins, which represents an area of multiple applications in the areas of health and biotechnology.
topic	protein structure protein function bijection
url	https://www.mdpi.com/2079-3197/9/4/39
work_keys_str_mv	AT gabrieldelrio challengesinthecomputationalmodelingoftheproteinstructureactivityrelationship
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Challenges in the Computational Modeling of the Protein Structure–Activity Relationship

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