Publications
2023
Machine learned coarse-grained protein force-fields: Are we there yet?
Current Opinion in Structural Biology, Vol.79, 2023
Aleksander Durumeric, Nicholas Charron, Clark Templeton, Félix Musil, Klara Bonneau, Aldo Pasos-Trejo, Yaoyi Chen, Atharva Kelkar, Frank Noé, Cecilia Clementi
BibTeX
DOI
Charron, Nicholas, Dr.
DOI
Machine learning coarse-grained potentials of protein thermodynamics
Nature Communications, Vol.14, 2023
Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas Charron, Toni Giorgino, Brooke Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis
BibTeX
DOI
Charron, Nicholas, Dr.
DOI
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Arxiv, 2023 (under review)
Nicholas Charron, Félix Musil, Andrea Guljas, Yaoyi Chen, Klara Bonneau, Aldo Pasos-Trejo, Venturin Jacopo, Gusew Daria, Iryna Zaporozhets, Andreas Krämer, Clark Templeton, Kelkar Atharva, Aleksander Durumeric, Simon Olsson, Adrià Pérez, Maciej Majewski, Brooke Husic, Ankit Patel, Gianni De Fabritiis, Frank Noé, Cecilia Clementi
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DOI
Charron, Nicholas, Dr.
DOI
Statistically optimal force aggregation for coarse-graining molecular dynamics
The Journal of Physical Chemistry Letters, 14(17), pp. 3970-3979, 2023
Andreas Krämer, Aleksander Durumeric, Nicholas Charron, Yaoyi Chen, Cecilia Clementi, Frank Noé
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DOI
Charron, Nicholas, Dr.
DOI