ΔNAzyme: A Foundational QM/MM Δ-Machine Learning Potential for Nucleic Acid Enzyme Catalysis

Erika McCarthy, Timothy J. Giese, Şölen Ekesan, Julie Puyo-Fourtine, Lauren Lerew, Andreas W. Götz, Darrin M. York

Open source

DOI
10.1021/acs.jctc.6c01635
Published
2026-10-12
Container
Journal of Chemical Theory and Computation
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jctc.6c01635,
  title = {ΔNAzyme:
A Foundational QM/MM Δ-Machine
Learning Potential for Nucleic Acid Enzyme Catalysis},
  author = {Erika McCarthy and Timothy J. Giese and Şölen Ekesan and Julie Puyo-Fourtine and Lauren Lerew and Andreas W. Götz and Darrin M. York},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c01635},
  url = {https://doi.org/10.1021/acs.jctc.6c01635}
}

RIS

TY  - JOUR
TI  - ΔNAzyme:
A Foundational QM/MM Δ-Machine
Learning Potential for Nucleic Acid Enzyme Catalysis
AU  - Erika McCarthy
AU  - Timothy J. Giese
AU  - Şölen Ekesan
AU  - Julie Puyo-Fourtine
AU  - Lauren Lerew
AU  - Andreas W. Götz
AU  - Darrin M. York
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c01635
UR  - https://doi.org/10.1021/acs.jctc.6c01635
ER  - 

APA

McCarthy, E., Giese, T. J., Ekesan, S., Puyo-Fourtine, J., Lerew, L., Götz, A. W., & York, D. M. (2026). ΔNAzyme: A Foundational QM/MM Δ-Machine Learning Potential for Nucleic Acid Enzyme Catalysis. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c01635

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