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Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

We describe SILIRID (Simple Ligand–Receptor Interaction Descriptor), a novel fixed size descriptor characterizing protein–ligand interactions. SILIRID can be obtained from the binary interaction fingerprints (IFPs) by summing up the bits corresponding to identical amino acids. This results in a vect...

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Autors principals: Chupakhin, Vladimir, Marcou, Gilles, Gaspar, Helena, Varnek, Alexandre
Format: Artigo
Idioma:Inglês
Publicat: Research Network of Computational and Structural Biotechnology 2014
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4151984/
https://ncbi.nlm.nih.gov/pubmed/25210596
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.csbj.2014.05.004
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