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Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations.

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Title: Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations.
Authors: Ansari, Narjes1 (AUTHOR) narjesa@qubit-pharmaceuticals.com, Aviat, Félix1 (AUTHOR) felix.aviat@qubit-pharmaceuticals.com, Hénin, Jérôme2 (AUTHOR), Piquemal, Jean-Philip1,3 (AUTHOR), Lagardère, Louis1,3 (AUTHOR) louis.lagardere@sorbonne-universite.fr
Source: Communications Chemistry. 5/8/2026, Vol. 9 Issue 1, p1-11. 11p.
Database: Academic Search Ultimate
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ISSN:23993669
DOI:10.1038/s42004-026-02022-6