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Physical Binding Pocket Induction for Affinity Prediction

Computational methods for predicting ligand affinity where no protein structure is known generally take the form of regression analysis based on molecular features that have only a tangential relationship to a protein/ligand binding event. Such methods have limited utility when structural variation...

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Detalhes bibliográficos
Main Authors: Langham, James J., Cleves, Ann E., Spitzer, Russell, Kirshner, Daniel, Jain, Ajay N.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2766559/
https://ncbi.nlm.nih.gov/pubmed/19754201
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm901096y
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