Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations
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arXiv
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| Main Authors: | Ansari, Narjes, Jing, Zhifeng Francis, Gagelin, Antoine, Hédin, Florent, Aviat, Félix, Hénin, Jérôme, Piquemal, Jean-Philip, Lagardère, Louis |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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