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

Rick Sheridan ricksher at gmail.com
Wed Jan 6 00:29:38 PST 2021


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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