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Natural product fragment combination to performance-diverse pseudo-natural products.
Nat Commun. 2021 Mar 25;12(1):1883. doi: 10.1038/s41467-021-22174-4.
Nat Commun. 2021.
PMID: 33767198
Free PMC article.
Pseudonatural Products Occur Frequently in Biologically Relevant Compounds.
Gally JM, Pahl A, Czodrowski P, Waldmann H.
Gally JM, et al.
J Chem Inf Model. 2021 Nov 22;61(11):5458-5468. doi: 10.1021/acs.jcim.1c01084. Epub 2021 Oct 20.
J Chem Inf Model. 2021.
PMID: 34669418
Free PMC article.
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VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.
Gally JM, Bourg S, Do QT, Aci-Sèche S, Bonnet P.
Gally JM, et al.
Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700023. Epub 2017 Jun 6.
Mol Inform. 2017.
PMID: 28586180
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VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening.
Gally JM, Bourg S, Fogha J, Do QT, Aci-Sèche S, Bonnet P.
Gally JM, et al.
Curr Med Chem. 2020;27(38):6480-6494. doi: 10.2174/0929867326666190614160451.
Curr Med Chem. 2020.
PMID: 31242833
Review.
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