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"Relative free-energy calculations for scaffold hopping-type ..."
Benjamin Ries et al. (2022)
- Benjamin Ries
, Karl Normak
, R. Gregor Weiß
, Salomé Rieder
, Emília P. Barros
, Candide Champion
, Gerhard König
, Sereina Riniker
:
Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure. J. Comput. Aided Mol. Des. 36(2): 117-130 (2022)
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