Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.

Autor: Baillif, Benoit1 (AUTHOR), Cole, Jason2 (AUTHOR), Giangreco, Ilenia2,3 (AUTHOR), McCabe, Patrick2 (AUTHOR), Bender, Andreas1 (AUTHOR) ab454@cam.ac.uk
Zdroj: Journal of Cheminformatics. 12/21/2023, Vol. 15 Issue 1, p1-23. 23p.
Databáze: Academic Search Ultimate
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