QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling.
- DOI
- 10.1021/acs.jctc.4c00199
- Published
- 2024 Jul 9
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.4c00199,
title = {QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling.},
author = {Pöverlein MC and Hulm A and Dietschreit JCB and Kussmann J and Ochsenfeld C and Kaila VRI},
year = {2024},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.4c00199},
url = {https://doi.org/10.1021/acs.jctc.4c00199}
}RIS
TY - JOUR TI - QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling. AU - Pöverlein MC AU - Hulm A AU - Dietschreit JCB AU - Kussmann J AU - Ochsenfeld C AU - Kaila VRI PY - 2024 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.4c00199 UR - https://doi.org/10.1021/acs.jctc.4c00199 ER -
APA
MC, P., A, H., JCB, D., J, K., C, O., & VRI, K. (2024). QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.4c00199
Source records
- pubmed · retrieved 2026-09-27T01:24:29.881Z