Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity

Aggrescan4D (A4D) is an advanced computational tool designed for predicting protein aggregation, leveraging structural information and the influence of pH. Building upon its predecessor, Aggrescan3D (A3D), A4D has undergone numerous enhancements aimed at assisting the improvement of protein solubili...

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Detalles Bibliográficos
Autores: Zalewski, M, Iglesias, V, Barcenas, O, Ventura, S, Kmiecik, S
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Institut d'Investigació i Innovació Parc Taulí (I3PT)
Repositorio:r-I3PT. Repositorio Institucional Producción Científica del Institut d'Investigació i Innovació Parc Taulí
OAI Identifier:oai:i3pt.fundanetsuite.com:p5291
Acceso en línea:https://i3pt.portalinvestigacion.com/publicaciones/5291
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205352196&doi=10.1002%2fpro.5180&partnerID=40&md5=05ad34d1549bbff7732c3bdf85bfd7ee
Access Level:acceso abierto
Palabra clave:computational biology
monoclonal antibodies
pH-dependent aggregation
protein aggregation
protein engineering
protein solubility
protein stability
structural bioinformatics
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spelling Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensityZalewski, MIglesias, VBarcenas, OVentura, SKmiecik, Scomputational biologymonoclonal antibodiespH-dependent aggregationprotein aggregationprotein engineeringprotein solubilityprotein stabilitystructural bioinformaticsAggrescan4D (A4D) is an advanced computational tool designed for predicting protein aggregation, leveraging structural information and the influence of pH. Building upon its predecessor, Aggrescan3D (A3D), A4D has undergone numerous enhancements aimed at assisting the improvement of protein solubility. This manuscript reviews A4D's updated functionalities and explains the fundamental principles behind its pH-dependent calculations. Additionally, it presents an antibody case study to evaluate its performance in comparison with other structure-based predictors. Notably, A4D integrates advanced protein engineering protocols with pH-dependent calculations, enhancing its utility in advising solubility-enhancing mutations. A4D considers the impact of structural flexibility on aggregation propensities, and includes a large set of precalculated predictions. These capabilities should help to open new avenues for both understanding and managing protein aggregation. A4D is accessible through a dedicated web server at .WILEY2024info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttps://i3pt.portalinvestigacion.com/publicaciones/5291https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205352196&doi=10.1002%2fpro.5180&partnerID=40&md5=05ad34d1549bbff7732c3bdf85bfd7eePROTEIN SCIENCEISSN: 09618368ISSNe: 1469896Xreponame:r-I3PT. Repositorio Institucional Producción Científica del Institut d'Investigació i Innovació Parc Taulíinstname:Institut d'Investigació i Innovació Parc Taulí (I3PT)Inglésinfo:eu-repo/semantics/openAccessoai:i3pt.fundanetsuite.com:p52912026-06-21T15:30:37Z
dc.title.none.fl_str_mv Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
title Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
spellingShingle Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
Zalewski, M
computational biology
monoclonal antibodies
pH-dependent aggregation
protein aggregation
protein engineering
protein solubility
protein stability
structural bioinformatics
title_short Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
title_full Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
title_fullStr Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
title_full_unstemmed Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
title_sort Aggrescan4D: A comprehensive tool for pH-dependent analysis and engineering of protein aggregation propensity
dc.creator.none.fl_str_mv Zalewski, M
Iglesias, V
Barcenas, O
Ventura, S
Kmiecik, S
author Zalewski, M
author_facet Zalewski, M
Iglesias, V
Barcenas, O
Ventura, S
Kmiecik, S
author_role author
author2 Iglesias, V
Barcenas, O
Ventura, S
Kmiecik, S
author2_role author
author
author
author
dc.subject.none.fl_str_mv computational biology
monoclonal antibodies
pH-dependent aggregation
protein aggregation
protein engineering
protein solubility
protein stability
structural bioinformatics
topic computational biology
monoclonal antibodies
pH-dependent aggregation
protein aggregation
protein engineering
protein solubility
protein stability
structural bioinformatics
description Aggrescan4D (A4D) is an advanced computational tool designed for predicting protein aggregation, leveraging structural information and the influence of pH. Building upon its predecessor, Aggrescan3D (A3D), A4D has undergone numerous enhancements aimed at assisting the improvement of protein solubility. This manuscript reviews A4D's updated functionalities and explains the fundamental principles behind its pH-dependent calculations. Additionally, it presents an antibody case study to evaluate its performance in comparison with other structure-based predictors. Notably, A4D integrates advanced protein engineering protocols with pH-dependent calculations, enhancing its utility in advising solubility-enhancing mutations. A4D considers the impact of structural flexibility on aggregation propensities, and includes a large set of precalculated predictions. These capabilities should help to open new avenues for both understanding and managing protein aggregation. A4D is accessible through a dedicated web server at .
publishDate 2024
dc.date.none.fl_str_mv 2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://i3pt.portalinvestigacion.com/publicaciones/5291
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205352196&doi=10.1002%2fpro.5180&partnerID=40&md5=05ad34d1549bbff7732c3bdf85bfd7ee
url https://i3pt.portalinvestigacion.com/publicaciones/5291
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205352196&doi=10.1002%2fpro.5180&partnerID=40&md5=05ad34d1549bbff7732c3bdf85bfd7ee
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv WILEY
publisher.none.fl_str_mv WILEY
dc.source.none.fl_str_mv PROTEIN SCIENCE
ISSN: 09618368
ISSNe: 1469896X
reponame:r-I3PT. Repositorio Institucional Producción Científica del Institut d'Investigació i Innovació Parc Taulí
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instname_str Institut d'Investigació i Innovació Parc Taulí (I3PT)
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