Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.
- DOI
- 10.1021/acs.jcim.5c02932
- Published
- 2026 Mar 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.5c02932,
title = {Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.},
author = {Alencar Araripe D and Díaz-Holguín A and Poso A and van Westen GJP and Åqvist J and Gutiérrez-de-Terán H and Jespers W},
year = {2026},
journal = {Journal of chemical information and modeling},
doi = {10.1021/acs.jcim.5c02932},
url = {https://doi.org/10.1021/acs.jcim.5c02932}
}RIS
TY - JOUR TI - Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site. AU - Alencar Araripe D AU - Díaz-Holguín A AU - Poso A AU - van Westen GJP AU - Åqvist J AU - Gutiérrez-de-Terán H AU - Jespers W PY - 2026 JO - Journal of chemical information and modeling DO - 10.1021/acs.jcim.5c02932 UR - https://doi.org/10.1021/acs.jcim.5c02932 ER -
APA
D, A. A., A, D., A, P., GJP, V. W., J, Å., H, G., & W, J. (2026). Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.5c02932
Source records
- pubmed · retrieved 2026-09-25T15:29:19.264Z