Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

Pockets are today at the cornerstones of modern drug discovery projects and at the crossroad of several research fields, from structural biology to mathematical modeling. Being able to predict if a small molecule could bind to one or more protein targets or if a protein could bind to some given liga...

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Bibliographic Details
Main Authors: Stéphanie Pérot, Leslie Regad, Christelle Reynès, Olivier Spérandio, Maria A Miteva, Bruno O Villoutreix, Anne-Claude Camproux
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2013-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC3688729?pdf=render