Machine learning coarse-grained potentials of protein thermodynamics.

Majewski, Maciej; Pérez, Adrià; Thölke, Philipp; Doerr, Stefan; Charron, Nicholas E; Giorgino, Toni; Husic, Brooke E; Clementi, Cecilia; Noé, Frank; De Fabritiis, Gianni

Majewski, Maciej; Pérez, Adrià; Thölke, Philipp; Doerr, Stefan; Charron, Nicholas E; Giorgino, Toni; Husic, Brooke E; Clementi, Cecilia; Noé, Frank; De Fabritiis, Gianni.

Affiliation

Majewski M; Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Carrer Dr. Aiguader 88, 08003, Barcelona, Spain.
Pérez A; Acellera Labs, Doctor Trueta 183, 08005, Barcelona, Spain.
Thölke P; Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Carrer Dr. Aiguader 88, 08003, Barcelona, Spain.
Doerr S; Acellera Labs, Doctor Trueta 183, 08005, Barcelona, Spain.
Charron NE; Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Carrer Dr. Aiguader 88, 08003, Barcelona, Spain.
Giorgino T; Acellera Labs, Doctor Trueta 183, 08005, Barcelona, Spain.
Husic BE; Department of Physics, Rice University, Houston, TX, 77005, USA.
Clementi C; Center for Theoretical Biological Physics, Rice University, Houston, TX, 77005, USA.
Noé F; Department of Physics, FU Berlin, Arnimallee 12, 14195, Berlin, Germany.
De Fabritiis G; Biophysics Institute, National Research Council (CNR-IBF), 20133, Milan, Italy.

Nat Commun ; 14(1): 5739, 2023 09 15.

Article in En | MEDLINE | ID: mdl-37714883

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Physics / Machine Learning Language: En Journal: Nat Commun Journal subject: BIOLOGIA / CIENCIA Year: 2023 Document type: Article Affiliation country: España Country of publication: Reino Unido

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