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Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking

Ensemble docking is a widely applied concept in structure-based virtual screening—to at least partly account for protein flexibility—usually granting a significant performance gain at a modest cost of speed. From the individual, single-structure docking scores, a consensus score needs to be produced...

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Vydáno v:Molecules
Hlavní autoři: Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6695709/
https://ncbi.nlm.nih.gov/pubmed/31344902
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24152690
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