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

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

 Hi Rick,
hope this may help:
Vina binding results were validated against NCI-60 in vitro results there. 


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

Rick Sheridan
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