To ML-Predict or Not to ML-Predict: The Impact of Machine Learning-Predicted Protein Structures on FEP Accuracy and Data Augmentation.
- DOI
- 10.1021/acs.jcim.6c01024
- Published
- 2026 Sep 14
- Container
- Journal of chemical information and modeling
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jcim.6c01024,
title = {To ML-Predict or Not to ML-Predict: The Impact of Machine Learning-Predicted Protein Structures on FEP Accuracy and Data Augmentation.},
author = {Dryja P and Muller M and Horn M and Balabin I and Dentmon ZW and Rimal P and Peterson YK and Joubert F and Kaiser TM and Burger PB},
year = {2026},
journal = {Journal of chemical information and modeling},
doi = {10.1021/acs.jcim.6c01024},
url = {https://doi.org/10.1021/acs.jcim.6c01024}
}RIS
TY - JOUR TI - To ML-Predict or Not to ML-Predict: The Impact of Machine Learning-Predicted Protein Structures on FEP Accuracy and Data Augmentation. AU - Dryja P AU - Muller M AU - Horn M AU - Balabin I AU - Dentmon ZW AU - Rimal P AU - Peterson YK AU - Joubert F AU - Kaiser TM AU - Burger PB PY - 2026 JO - Journal of chemical information and modeling DO - 10.1021/acs.jcim.6c01024 UR - https://doi.org/10.1021/acs.jcim.6c01024 ER -
APA
P, D., M, M., M, H., I, B., ZW, D., P, R., YK, P., F, J., TM, K., & PB, B. (2026). To ML-Predict or Not to ML-Predict: The Impact of Machine Learning-Predicted Protein Structures on FEP Accuracy and Data Augmentation.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.6c01024
Source records
- pubmed · retrieved 2026-09-25T10:08:11.383Z