Enhanced Sampling Enables Binding Site Water Reorganization in Polarizable Absolute Binding Free Energy Calculations
- DOI
- 10.1101/2025.10.17.683050
- Published
- 2025-10-17
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- Not recorded
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- Open access
- yes
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Cite this work
BibTeX
@article{allodium:10.1101/2025.10.17.683050,
title = {Enhanced Sampling Enables Binding Site Water Reorganization in Polarizable Absolute Binding Free Energy Calculations},
author = {Marharyta Blazhynska and Narjes Ansari and Louis Lagardère and Jean-Philip Piquemal},
year = {2025},
doi = {10.1101/2025.10.17.683050},
url = {https://doi.org/10.1101/2025.10.17.683050}
}RIS
TY - JOUR TI - Enhanced Sampling Enables Binding Site Water Reorganization in Polarizable Absolute Binding Free Energy Calculations AU - Marharyta Blazhynska AU - Narjes Ansari AU - Louis Lagardère AU - Jean-Philip Piquemal PY - 2025 DO - 10.1101/2025.10.17.683050 UR - https://doi.org/10.1101/2025.10.17.683050 ER -
APA
Blazhynska, M., Ansari, N., Lagardère, L., & Piquemal, J. (2025). Enhanced Sampling Enables Binding Site Water Reorganization in Polarizable Absolute Binding Free Energy Calculations. https://doi.org/10.1101/2025.10.17.683050
Source records
- hal · retrieved 2026-09-26T10:04:40.143Z