Using NMR for ligand discovery and optimization

Discovering High-Affinity Ligands for Proteins: SAR by NMR

1996 • 1,986 citations

NMR Spectroscopy Techniques for Screening and Identifying Ligand Binding to Protein Receptors

2003 • 971 citations

Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions

2003 • 529 citations

Nmr in drug discovery

2002 • 394 citations

Contemporary issues in toxicology the role of metabonomics in toxicology and its evaluation by the COMET project

2003 • 386 citations

Discovery, Characterization, and Structure−Activity Relationships Studies of Proapoptotic Polyphenols Targeting B-Cell Lymphocyte/Leukemia-2 Proteins

2003 • 370 citations

Improved methods for the acquisition and interpretation of NMR metabolomic data

2003 • 296 citations

Metabonomics: NMR spectroscopy and pattern recognition analysis of body fluids and tissues for characterisation of xenobiotic toxicity and disease diagnosis

2003 • 271 citations

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery

1999 • 270 citations

Cancer prevention by tea polyphenols is linked to their direct inhibition of antiapoptotic Bcl-2-family proteins.

2003 • 259 citations

An Integrated Metabonomic Investigation of Acetaminophen Toxicity in the Mouse Using NMR Spectroscopy

2003 • 243 citations

A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects

2003 • 237 citations

NMR-based screening in drug discovery

1999 • 227 citations

Use of relaxation-edited one-dimensional and two dimensional nuclear magnetic resonance spectroscopy to improve detection of small metabolites in blood plasma

2004 • 222 citations

LC–NMR–MS in drug discovery

2003 • 198 citations

Fragment Screening and Assembly: A Highly Efficient Approach to a Selective and Cell Active Protein Tyrosine Phosphatase 1B Inhibitor

2003 • 155 citations

NMR-based metabonomic toxicity classification: hierarchical cluster analysis and k-nearest-neighbour approaches

2003 • 149 citations

High-Throughput NMR-Based Screening with Competition Binding Experiments

2002 • 147 citations

A General NMR Method for Rapid, Efficient, and Reliable Biochemical Screening

2003 • 116 citations

NMR-Based Screening with Competition Water−Ligand Observed via Gradient Spectroscopy Experiments: Detection of High-Affinity Ligands

2002 • 109 citations

Spatial Localization of Ligand Binding Sites from Electron Current Density Surfaces Calculated from NMR Chemical Shift Perturbations

2002 • 86 citations

NMR Spectroscopy Tools for Structure‐Aided Drug Design

2003 • 77 citations

Second-Site NMR Screening and Linker Design

2003 • 67 citations

Metabolite Identification in Drug Discovery

2006 • 63 citations

NMR-Based Modification of Matrix Metalloproteinase Inhibitors with Improved Bioavailability

2002 • 57 citations

Site-Selective Screening by NMR Spectroscopy with Labeled Amino Acid Pairs

2002 • 57 citations

NMR-based methods and strategies for drug discovery

2003 • 56 citations

Selective Incorporation of ¹⁹F‐Labeled Trp Side Chains for NMR‐Spectroscopy‐Based Ligand–Protein Interaction Studies

2003 • 56 citations

RAMPED-UP NMR: Multiplexed NMR-Based Screening for Drug Discovery

2003 • 53 citations

Application of NMR SHAPES Screening to an RNA Target

2003 • 47 citations

Real-Time 2D NMR Identification of Analytes Undergoing Continuous Chromatographic Separation

2004 • 39 citations

NMR and Structural Genomics

2002 • 38 citations

Use of Selective Trp Side Chain Labeling To Characterize Protein−Protein and Protein−Ligand Interactions by NMR Spectroscopy

2003 • 31 citations

Transferred¹³CT₁Relaxation at Natural Isotopic Abundance: A Practical Method for Determining Site-Specific Changes in Ligand Flexibility upon Binding to a Macromolecule

2000 • 30 citations

Site-Selective Labeling Strategies for Screening by NMR

2002 • 27 citations

Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design

2003 • 26 citations

Crystallography, NMR and virtual screening: integrated tools for drug discovery.

2003 • 23 citations

New Probes of Ligand Flexibility in Drug Design: Transferred¹³C CSA−Dipolar Cross-Correlated Relaxation at Natural Abundance

2003 • 18 citations

Exploring the active site of human factor Xa protein by NMR screening of small molecule probes

2003 • 16 citations