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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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