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3360
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+49 30 84185-328
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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.
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.
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 BibTeX
DOI
Charron, Nicholas, Dr.
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 BibTeX
DOI
Charron, Nicholas, Dr.