ADL: Any literature survey of Vina-in vitro correlations?

Drasko Tomic drasko.tomic at yahoo.com
Wed Jan 6 06:16:05 PST 2021


 Hi Rick,
hope this may help: https://www.hilarispublisher.com/open-access/evaluation-of-the-efficacy-of-cancer-drugs-by-using-the-second-largest-eigenvalue-of-metabolic-cancer-pathways-jcsb-1000280.pdf
Vina binding results were validated against NCI-60 in vitro results there. 

Regards,
Drasko


    On Wednesday, January 6, 2021, 9:31:17 AM GMT+1, Rick Sheridan <ricksher at gmail.com> wrote:  
 
 Hi dockers,

In the years since Vina came out, does anyone know if any researcher has
run a comprehensive survey and correlation comparison of Vina binding
energy results with literature-wide in vitro (cell-free) measured IC50
values in the laboratory?  There was the original DUD-E dataset comparison
when Vina first came out, but I am unfamiliar with work that has built on
that since then.

Best,
Rick
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Rick Sheridan
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