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Simulating enzyme catalysis with electrostatically embedded machine learning potentials (2025)

First Author: Gradisteanu V

Attributed to: Simulating catalysis: Multiscale embedding of machine learning potentials funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.26434/chemrxiv-2025-nw9lt

Publication URI: http://dx.doi.org/10.26434/chemrxiv-2025-nw9lt

Type: Preprint