Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation.

Konrad J, Meißner R

DOI: 10.1021/acs.jcim.5c00445
Published: 2025 Jun 23
Container: Journal of chemical information and modeling
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.5c00445,
  title = {Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation.},
  author = {Konrad J and Meißner R},
  year = {2025},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.5c00445},
  url = {https://doi.org/10.1021/acs.jcim.5c00445}
}

RIS

TY  - JOUR
TI  - Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation.
AU  - Konrad J
AU  - Meißner R
PY  - 2025
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.5c00445
UR  - https://doi.org/10.1021/acs.jcim.5c00445
ER  -

APA

J, K., & R, M. (2025). Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.5c00445

Source records

pubmed · retrieved 2026-09-25T20:27:40.106Z