Impact of protein conformational diversity on AlphaFold predictions

E. Saldaño, Tadeo; Escobedo, Nahuel; Marchetti, Julia; Javier Zea, Diego; Mac Donagh, Juan; Julia Velez Rueda, Ana; Gonik, Eduardo; García Melani, Agustina; Novomisky Nechcoff, Julieta; Salas, Martin; Peters, Tomás; Demitroff, Nicolás; Fernández-Alberti, Sebastian; Palópoli, Nicolás; Silvina Fornasari, Marı́a; Parisi, Gustavo

doi:10.1093/bioinformatics/btac202

Public

Impact of protein conformational diversity on AlphaFold predictions

Published in Bioinformatics • Apr 5, 2022

Authors:

Tadeo E. Saldaño

Nahuel Escobedo

Julia Marchetti

Abstract

MOTIVATION: After the outstanding breakthrough of AlphaFold in predicting protein 3D models, new questions appeared and remain unanswered. The ensemble nature of proteins, for example, challenges the structural prediction methods because the models should represent a set of conformers instead of sin...

Subject

Conformational isomerism

Conformational ensembles

Computer science

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