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A Critical Assessment of the Performance of Protein-ligand Scoring Functions Based on NMR Chemical Shift Perturbations

We have generated docking poses for the FKBP-GPI complex using eight docking programs, and compared their scoring functions with scoring based on NMR chemical shift perturbations (NMRScore). Because the chemical shift perturbation (CSP) is exquisitely sensitive on the orientation of ligand inside th...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Wang, Bing, Westerhoff, Lance M., Merz, Kenneth M.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2007
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2525740/
https://ncbi.nlm.nih.gov/pubmed/17867664
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm070484a
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