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Page 1
Introducing the Automated Ligand Searcher.
J Chem Inf Model. 2023 Dec 11;63(23):7518-7528. doi: 10.1021/acs.jcim.3c01317. Epub 2023 Nov 20.
J Chem Inf Model. 2023.
PMID: 37983165
Free PMC article.
The molecular basis of the antidepressant action of the magic mushroom extract, psilocin.
Hakami Zanjani AA, Nguyen TQT, Jacobsen L, Khandelia H.
Hakami Zanjani AA, et al. Among authors: jacobsen l.
Biochim Biophys Acta Proteins Proteom. 2023 Jul 1;1871(4):140914. doi: 10.1016/j.bbapap.2023.140914. Epub 2023 Apr 3.
Biochim Biophys Acta Proteins Proteom. 2023.
PMID: 37019325
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Inhibition Mechanism of Antimalarial Drugs Targeting the Cytochrome bc1 Complex.
Jacobsen L, Husen P, Solov'yov IA.
Jacobsen L, et al.
J Chem Inf Model. 2021 Mar 22;61(3):1334-1345. doi: 10.1021/acs.jcim.0c01148. Epub 2021 Feb 22.
J Chem Inf Model. 2021.
PMID: 33617262
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Design of SARS-CoV-2 Main Protease Inhibitors Using Artificial Intelligence and Molecular Dynamic Simulations.
Elend L, Jacobsen L, Cofala T, Prellberg J, Teusch T, Kramer O, Solov'yov IA.
Elend L, et al. Among authors: jacobsen l.
Molecules. 2022 Jun 22;27(13):4020. doi: 10.3390/molecules27134020.
Molecules. 2022.
PMID: 35807268
Free PMC article.
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ATP-Bound State of the Uncoupling Protein 1 (UCP1) from Molecular Simulations.
Jacobsen L, Lydersen L, Khandelia H.
Jacobsen L, et al.
J Phys Chem B. 2023 Nov 16;127(45):9685-9696. doi: 10.1021/acs.jpcb.3c03473. Epub 2023 Nov 3.
J Phys Chem B. 2023.
PMID: 37921649
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