Ligand-Induced Conformational Changes: Improved Predictions of Ligand Binding Conformations and Affinities

A computational docking strategy using multiple conformations of the target protein is discussed and evaluated. A series of low molecular weight, competitive, nonpeptide protein tyrosine phosphatase inhibitors are considered for which the x-ray crystallographic structures in complex with protein tyr...

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Bibliografiska uppgifter
Huvudupphovsmän: Frimurer, Thomas M., Peters, Günther H., Iversen, Lars F., Andersen, Henrik S., Møller, Niels Peter H., Olsen, Ole H.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Biophysical Society 2003
Ämnen:
Biophysical Theory and Modeling
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC1302794/
https://ncbi.nlm.nih.gov/pubmed/12668436
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