QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.

Sabanés Zariquiey F, Farr SE, Doerr S, De Fabritiis G

DOI: 10.1021/acs.jcim.5c00033
Published: 2025 Apr 28
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.5c00033,
  title = {QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.},
  author = {Sabanés Zariquiey F and Farr SE and Doerr S and De Fabritiis G},
  year = {2025},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.5c00033},
  url = {https://doi.org/10.1021/acs.jcim.5c00033}
}

RIS

TY  - JOUR
TI  - QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.
AU  - Sabanés Zariquiey F
AU  - Farr SE
AU  - Doerr S
AU  - De Fabritiis G
PY  - 2025
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.5c00033
UR  - https://doi.org/10.1021/acs.jcim.5c00033
ER  -

APA

F, S. Z., SE, F., S, D., & G, D. F. (2025). QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.5c00033

Source records

pubmed · retrieved 2026-09-26T22:39:33.041Z