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VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening.
Curr Med Chem. 2020;27(38):6480-6494. doi: 10.2174/0929867326666190614160451.
Curr Med Chem. 2020.
PMID: 31242833
Review.
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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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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Natural product fragment combination to performance-diverse pseudo-natural products.
Grigalunas M, Burhop A, Zinken S, Pahl A, Gally JM, Wild N, Mantel Y, Sievers S, Foley DJ, Scheel R, Strohmann C, Antonchick AP, Waldmann H.
Grigalunas M, et al. Among authors: gally jm.
Nat Commun. 2021 Mar 25;12(1):1883. doi: 10.1038/s41467-021-22174-4.
Nat Commun. 2021.
PMID: 33767198
Free PMC article.
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