Dual-Coordinate Relative Free Energy Simulations Using Machine-Learned Interatomic Potentials.

Picha AK, Boresch S

DOI: 10.1021/acs.jctc.6c00824
Published: 2026 Aug 11
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00824,
  title = {Dual-Coordinate Relative Free Energy Simulations Using Machine-Learned Interatomic Potentials.},
  author = {Picha AK and Boresch S},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c00824},
  url = {https://doi.org/10.1021/acs.jctc.6c00824}
}

RIS

TY  - JOUR
TI  - Dual-Coordinate Relative Free Energy Simulations Using Machine-Learned Interatomic Potentials.
AU  - Picha AK
AU  - Boresch S
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c00824
UR  - https://doi.org/10.1021/acs.jctc.6c00824
ER  -

APA

AK, P., & S, B. (2026). Dual-Coordinate Relative Free Energy Simulations Using Machine-Learned Interatomic Potentials.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c00824

Source records

pubmed · retrieved 2026-09-25T17:46:08.818Z