Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces

Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces

Resumen del trabajo presentado en 15th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP15), celebrado en Turquía, del 10 al 13 de diciembre de 2022

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Main Authors: Rodríguez-Lumbreras, Luis A., Fernández-Recio, Juan
Format: póster de congreso biblioteca
Published: 2022-12-10
Online Access:http://hdl.handle.net/10261/303922
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id dig-icvv-es-10261-303922
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spelling dig-icvv-es-10261-3039222023-03-22T16:30:18Z Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces Rodríguez-Lumbreras, Luis A. Fernández-Recio, Juan Resumen del trabajo presentado en 15th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP15), celebrado en Turquía, del 10 al 13 de diciembre de 2022 We explored here new strategies for modeling of protein assemblies by integrating deep learning approaches like AlphaFold with the docking and energy-based scoring function of pyDock1, which previously showed successful results on template-based and ab initio docking models2. For that, we participated in the CASP15 Assembly category, as part of the 5th common CASP-CAPRI Assembly Prediction challenge (CAPRI Round 54), consisting in 39 targets: nine homo-dimers (A2), 13 hetero-dimers (A1B1 or E1I1), five homo-trimers (A3), three hetero-trimers (A2B1), and nine higher-degree homo- and heter-oligomers (ranging from a hetero-pentamer to a homo-16mer). As human predictors, we participated in all of the proposed targets except in H1137/T204. As scorers, we participated in all 38 proposed targets (target H1106/T191 was not included in the scoring experiment). 2023-03-22T16:30:17Z 2023-03-22T16:30:17Z 2022-12-10 2023-03-22T16:30:17Z póster de congreso 15th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (2022) http://hdl.handle.net/10261/303922 Sí open
institution ICVV ES
collection DSpace
country España
countrycode ES
component Bibliográfico
access En linea
databasecode dig-icvv-es
tag biblioteca
region Europa del Sur
libraryname Biblioteca del ICVV España
description Resumen del trabajo presentado en 15th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP15), celebrado en Turquía, del 10 al 13 de diciembre de 2022
format póster de congreso
author Rodríguez-Lumbreras, Luis A.
Fernández-Recio, Juan
spellingShingle Rodríguez-Lumbreras, Luis A.
Fernández-Recio, Juan
Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
author_facet Rodríguez-Lumbreras, Luis A.
Fernández-Recio, Juan
author_sort Rodríguez-Lumbreras, Luis A.
title Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
title_short Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
title_full Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
title_fullStr Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
title_full_unstemmed Protein assembly modeling by pyDock: integration of ab initio docking and energy-based scoring of AlphaFold interfaces
title_sort protein assembly modeling by pydock: integration of ab initio docking and energy-based scoring of alphafold interfaces
publishDate 2022-12-10
url http://hdl.handle.net/10261/303922
work_keys_str_mv AT rodriguezlumbrerasluisa proteinassemblymodelingbypydockintegrationofabinitiodockingandenergybasedscoringofalphafoldinterfaces
AT fernandezreciojuan proteinassemblymodelingbypydockintegrationofabinitiodockingandenergybasedscoringofalphafoldinterfaces
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