Direct generation of protein conformational ensembles via machine learning

oleh: Giacomo Janson, Gilberto Valdes-Garcia, Lim Heo, Michael Feig

Format: Article
Diterbitkan: Nature Portfolio 2023-02-01

Deskripsi

Computational methods to study protein structural dynamics are a powerful tool in life sciences but are computationally expensive. Here, the authors show that machine learning can be used to efficiently generate protein conformational ensembles and test their method on intrinsically disordered peptides.