1 Hit in 2.6 sec

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="" 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);  ...  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.  ... 
<span class="external-identifiers"> <a target="_blank" rel="external noopener noreferrer" href="">doi:10.1186/1758-2946-5-s1-p28</a> <a target="_blank" rel="external noopener" href="">pmcid:PMC3606249</a> <a target="_blank" rel="external noopener" href="">fatcat:q6jccn4z65aqvkuffl7fmvbuxy</a> </span>
<a target="_blank" rel="noopener" href="" title="fulltext PDF download" data-goatcounter-click="serp-fulltext" data-goatcounter-title="serp-fulltext"> <button class="ui simple right pointing dropdown compact black labeled icon button serp-button"> <i class="icon ia-icon"></i> Web Archive [PDF] <div class="menu fulltext-thumbnail"> <img src="" alt="fulltext thumbnail" loading="lazy"> </div> </button> </a> <a target="_blank" rel="external noopener noreferrer" href=""> <button class="ui left aligned compact blue labeled icon button serp-button"> <i class="unlock alternate icon" style="background-color: #fb971f;"></i> </button> </a> <a target="_blank" rel="external noopener" href="" title="pubmed link"> <button class="ui compact blue labeled icon button serp-button"> <i class="file alternate outline icon"></i> </button> </a>