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10.1016/j.cplett.2020.137489 http://scihub22266oqcxt.onion/10.1016/j.cplett.2020.137489 32313296!7165110!32313296     free     free     free       Chem+Phys+Lett 2020 ; 750 (?): 137489 Nephropedia Template TP {{tp|p=32313296|t=2020. Identification of potential binders of the main protease 3CL(pro) of the COVID-19 via structure-based ligand design and molecular modeling |pdf=|usr=}}{{32313296}} gab.com Text Identification of potential binders of the main protease 3CL(pro) of the COVID-19 via structure-based ligand design and molecular modeling JO: Chem Phys Lett http://www.kidney.de/pget.php?&tw=1&pmid=32313296 #FOAvip We have applied a computational strategy, using a combination of virtual screening, docking and molecular dynamics techniques, aimed at identifying possible lead compounds for the non-covalent inhibition of the main protease 3CL(pro) of the SARS-CoV2 Coronavirus. Based on the X-ray structure (PDB code: 6LU7), ligands were generated using a multimodal structure-based design and then docked to the monomer in the active state. Docking calculations show that ligand-binding is strikingly similar in SARS-CoV and SARS-CoV2 main proteases. The most potent docked ligands are found to share a common binding pattern with aromatic moieties connected by rotatable bonds in a pseudo-linear arrangement. Twit Text FOAVip Identification of potential binders of the main protease 3CL(pro) of the COVID-19 via structure-based ligand design and molecular modeling ????Chem Phys Lett http://www.kidney.de/pget.php?&tw=1&pmid=32313296 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32313296 #FOAvip English Wikipedia <ref>{{Cite pmid|32313296}}</ref> Identification of potential binders of the main protease 3CL(pro) of the COVID-19 via structure-based ligand design and molecular modeling #MMPMID32313296 Macchiagodena M; Pagliai M; Procacci P Chem Phys Lett 2020[Jul]; 750 (?): 137489 PMID32313296show ga We have applied a computational strategy, using a combination of virtual screening, docking and molecular dynamics techniques, aimed at identifying possible lead compounds for the non-covalent inhibition of the main protease 3CL(pro) of the SARS-CoV2 Coronavirus. Based on the X-ray structure (PDB code: 6LU7), ligands were generated using a multimodal structure-based design and then docked to the monomer in the active state. Docking calculations show that ligand-binding is strikingly similar in SARS-CoV and SARS-CoV2 main proteases. The most potent docked ligands are found to share a common binding pattern with aromatic moieties connected by rotatable bonds in a pseudo-linear arrangement. ?Identification of potential binders of the main protease 3CL(pro) of t(epmc).pdf DeepDyve Pubget Overpricing