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| Pérez,L.J; Díaz de Arce,Heidy. |
| The development of a wide-spectrum antiviral drug against pathogenic coronavirus is nowadays a attractive prospect and may provide an effective first line of defense against emerging CoV-related diseases. The most attractive target for the design of anticoronaviral inhibitors is the main protease or 3CL PRO. Ligand docking and screening algorithms are now frequently used in the drug-design process. The aim of this work based on a validation study of scoring functions is to find a consensus function or to select the scoring function that better predicts the orientation of the ligand in the pocket binding site, in order to perform a virtual screening in ligand databases, with a lower computational cost in the intent of finding a leader compound for antiviral... |
| Tipo: Journal article |
Palavras-chave: Docking algorithms; Scoring functions; Rigid docking; Flexible docking; Main protease. |
| Ano: 2008 |
URL: http://scielo.sld.cu/scielo.php?script=sci_arttext&pid=S0253-570X2008000300003 |
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