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Applications of the Pharmacophore Concept in Natural Product inspired Drug Design.
Mol Inform. 2020 Nov;39(11):e2000059. doi: 10.1002/minf.202000059. Epub 2020 Jul 9.
Mol Inform. 2020.
PMID: 32578959
Free PMC article.
Review.
A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2.
Battisti V, Wieder O, Garon A, Seidel T, Urban E, Langer T.
Battisti V, et al. Among authors: wieder o.
Mol Inform. 2020 Oct;39(10):e2000090. doi: 10.1002/minf.202000090. Epub 2020 Jul 28.
Mol Inform. 2020.
PMID: 32721082
Free PMC article.
Item in Clipboard
A compact review of molecular property prediction with graph neural networks.
Wieder O, Kohlbacher S, Kuenemann M, Garon A, Ducrot P, Seidel T, Langer T.
Wieder O, et al.
Drug Discov Today Technol. 2020 Dec;37:1-12. doi: 10.1016/j.ddtec.2020.11.009. Epub 2020 Dec 17.
Drug Discov Today Technol. 2020.
PMID: 34895648
Free article.
Review.
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Reinstatement of synaptic plasticity in the aging brain through specific dopamine transporter inhibition.
Lubec J, Kalaba P, Hussein AM, Feyissa DD, Kotob MH, Mahmmoud RR, Wieder O, Garon A, Sagheddu C, Ilic M, Dragačević V, Cybulska-Klosowicz A, Zehl M, Wackerlig J, Sartori SB, Ebner K, Kouhnavardi S, Roller A, Gajic N, Pistis M, Singewald N, Leban JJ, Korz V, Malikovic J, Plasenzotti R, Sitte HH, Monje FJ, Langer T, Urban E, Pifl C, Lubec G.
Lubec J, et al. Among authors: wieder o.
Mol Psychiatry. 2021 Dec;26(12):7076-7090. doi: 10.1038/s41380-021-01214-x.
Mol Psychiatry. 2021.
PMID: 34244620
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Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks.
Wieder O, Kuenemann M, Wieder M, Seidel T, Meyer C, Bryant SD, Langer T.
Wieder O, et al.
Molecules. 2021 Oct 13;26(20):6185. doi: 10.3390/molecules26206185.
Molecules. 2021.
PMID: 34684766
Free PMC article.
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Improving Small Molecule pK a Prediction Using Transfer Learning With Graph Neural Networks.
Mayr F, Wieder M, Wieder O, Langer T.
Mayr F, et al. Among authors: wieder o.
Front Chem. 2022 May 26;10:866585. doi: 10.3389/fchem.2022.866585. eCollection 2022.
Front Chem. 2022.
PMID: 35721000
Free PMC article.
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High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment.
Seidel T, Permann C, Wieder O, Kohlbacher SM, Langer T.
Seidel T, et al. Among authors: wieder o.
J Chem Inf Model. 2023 Sep 11;63(17):5549-5570. doi: 10.1021/acs.jcim.3c00563. Epub 2023 Aug 25.
J Chem Inf Model. 2023.
PMID: 37624145
Free PMC article.
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