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É
éCole Normale SupéRieure And Psl University And Sorbonne Université And Cnrs
Scholars
3
Papers
1
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0
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Simulating enzyme catalysis with electrostatically embedded machine learning potentials
chem. sci.
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2026-03-11
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Valentin Gradisteanu †; Elliot W. Chan †; Lester Hedges; Meritxell Malagarriga; Rolf David; Miguel de la Puente; Damien Laage; Iñaki Tuñón; Marc W. van der Kamp; Kirill Zinovjev
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