LIECE binding energy evaluation

Protein Enzyme class Most potent inhibitor Hit rate Size of library Scoring method Reference 

The LIECE approach, where the last two letters stand for continuum electrostatics, is about two orders of magnitude faster than previous LI E methods and shows a similar precision on the targets tested. In fact, we have observed an error of about 1 kcal/mol for 13 and 29 peptidicinhibitors of 3-secretase and HIV-1 protease, respectively [73]. Similar accuracy has been reported for other proteases [89, 90] and five kinases [91]. 

It has been reported that consensus scoring is generally preferable to the use of a single scoring function [92]. Furthermore, the median rank is more suitable than the average rank in consensus scoring because the former is less sensitive to outliers [93]. 

West Nile Vims NS3 Protease (Flaviviral Infections) 

The pathogenic members of the flavivirus family, for example. West Nile virus and the closely related dengue virus, are transmitted by mosquito bites. Although an 

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