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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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Autors principals: Langham, James J., Cleves, Ann E., Spitzer, Russell, Kirshner, Daniel, Jain, Ajay N.
Format: Artigo
Idioma:Inglês
Publicat: 2009
Matèries:
Accés en línia: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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