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

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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Bibliographic Details
Main Authors: Vladimir Chupakhin, Gilles Marcou, Helena Gaspar, Alexandre Varnek
Format: Article
Language:English
Published: Elsevier 2014-06-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Protein–ligand interactions
Interaction fingerprints
Protein similarity
Protein classification
Chemogenomics
Generative Topographic Mapping
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037014000051

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http://www.sciencedirect.com/science/article/pii/S2001037014000051

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