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"Relative free-energy calculations for scaffold hopping-type ..."

Benjamin Ries et al. (2022)

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DOI: 10.1007/S10822-021-00436-Z

access: open

type: Journal Article

metadata version: 2022-05-13

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  - https://dblp.org/rec/journals/jcamd/RiesNWRBCKR22
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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