Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm.

Schlinsog M, Sattasathuchana T, Xu P, Guidez EB, Gilson MK, Potter MJ, Gordon MS, Webb SP

DOI: 10.1021/acs.jctc.4c01707
Published: 2025 Apr 22
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.4c01707,
  title = {Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm.},
  author = {Schlinsog M and Sattasathuchana T and Xu P and Guidez EB and Gilson MK and Potter MJ and Gordon MS and Webb SP},
  year = {2025},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.4c01707},
  url = {https://doi.org/10.1021/acs.jctc.4c01707}
}

RIS

TY  - JOUR
TI  - Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm.
AU  - Schlinsog M
AU  - Sattasathuchana T
AU  - Xu P
AU  - Guidez EB
AU  - Gilson MK
AU  - Potter MJ
AU  - Gordon MS
AU  - Webb SP
PY  - 2025
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.4c01707
UR  - https://doi.org/10.1021/acs.jctc.4c01707
ER  -

APA

M, S., T, S., P, X., EB, G., MK, G., MJ, P., MS, G., & SP, W. (2025). Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.4c01707

Source records

pubmed · retrieved 2026-09-25T05:05:13.720Z