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Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants.
Sci Rep. 2021 Mar 10;11(1):5543. doi: 10.1038/s41598-021-84700-0.
Sci Rep. 2021.
PMID: 33692377
Free PMC article.
Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Data Set.
Santos KB, Guedes IA, Karl ALM, Dardenne LE.
Santos KB, et al. Among authors: karl alm.
J Chem Inf Model. 2020 Feb 24;60(2):667-683. doi: 10.1021/acs.jcim.9b00905. Epub 2020 Jan 27.
J Chem Inf Model. 2020.
PMID: 31922754
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Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach.
Ceschi MA, da Costa JS, Lopes JPB, Câmara VS, Campo LF, Borges ACA, Gonçalves CAS, de Souza DF, Konrath EL, Karl ALM, Guedes IA, Dardenne LE.
Ceschi MA, et al. Among authors: karl alm.
Eur J Med Chem. 2016 Oct 4;121:758-772. doi: 10.1016/j.ejmech.2016.06.025. Epub 2016 Jun 23.
Eur J Med Chem. 2016.
PMID: 27392529
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