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Theory and Applications of NMR-Based Screening in Pharmaceutical
Research
Christopher A. Lepre,†,‡ Jonathan M. Moore,*,† and Jeffrey W. Peng‡,§
Vertex Pharmaceuticals Incorporated, 130 Waverly Street, Cambridge, Massachusetts 02139-4242; and Department of Chemistry and Biochemistry,
University of Notre Dame, 251 Nieuwland Science Hall, Notre Dame, Indiana 46556-5670
Received April 1, 2004
Contents 7.4. New Implementations of NMR Screening 32
7.4.1. RNA Targets 32
1. Introduction 1
7.4.2. Multiplexed TargetsScreening Mixtures 33
2. Binding Equilibria 2 of Receptors
2.1. Simple One-Site Binding 2 7.4.3. Assay Development and Validation 33
2.2. Competitive Binding Equilibria 4 8. Conclusions 34
3. Accounting for Binding-Induced Chemical 4 9. Acknowledgments 34
Exchange
10. References 34
3.1. Fast Exchange Approximation 5
4. Ligand-Based versus Receptor-Based Screening 6
5. Li
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