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Computational fragment-based binding site identification by ligand competitive saturation.

Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation ef...

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Bibliografiske detaljer
Principais autores: Olgun Guvench, Alexander D MacKerell
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science (PLoS) 2009-07-01
Serier:PLoS Computational Biology
Online adgang:http://europepmc.org/articles/PMC2700966?pdf=render
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