Collective Variable for Metadynamics Derived From AlphaFold Output

AlphaFold is a neural network–based tool for the prediction of 3D structures of proteins. In CASP14, a blind structure prediction challenge, it performed significantly better than other competitors, making it the best available structure prediction tool. One of the outputs of AlphaFold is the probab...

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Bibliographic Details
Main Authors: Vojtěch Spiwok, Martin Kurečka, Aleš Křenek
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-06-01
Series:Frontiers in Molecular Biosciences
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.878133/full