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Selecting bioactive-like conformations of small molecules using atomistic neural networks

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posted on 2022-06-18, 14:06 authored by Benoit BaillifBenoit Baillif, Jason Cole, Ilenia Giangreco, Patrick McCabe

Slides of my talk at the ICCS 2022 (https://iccs-nl.org/).

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    PDBBindSchNetBioactive Conformationvirtual screeningComputational Chemistry

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