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Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity

Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciolek, Andrzej J Bojarski
<span title="">2013</span> <i title="Springer Nature"> <a target="_blank" rel="noopener" href="https://fatcat.wiki/container/5aubiwi6v5beng6iqzj577kiaa" style="color: black;">Journal of Cheminformatics</a> </i> &nbsp;
Acknowledgements This study was supported by project UDA-POIG.01.03.01-12-100/08-00 cofinanced by European Union from the European Fund of Regional Development (EFRD); http://www.prokog.pl.  ...  In this research, we present application of Structural Interaction Fingerprints (SIFts) [1] combined with Machine Learning (ML) as a method to select single-and multi-target ligands from the docking  ...  The compounds were docked into respective proteins, and SIFts were calculated for each proteinligand complex.  ... 
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