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"Applying atomistic neural networks to bias conformer ensembles towards ..."

Benoit Baillif et al. (2023)

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DOI: 10.1186/S13321-023-00794-W

access: open

type: Journal Article

metadata version: 2024-02-28

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  - https://dblp.org/rec/journals/jcheminf/BaillifCGMB23
Benoit Baillif, Jason C. Cole, Ilenia Giangreco, Patrick McCabe, Andreas Bender:
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations. J. Cheminformatics 15(1): 124 (2023)

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