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

Numerical recipes in C: the art of scientific computing

1993 • 18,639 citations

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

2001 • 16,438 citations

Spin Diffusion Measurements: Spin Echoes in the Presence of a Time-Dependent Field Gradient

1965 • 7,940 citations

From Levinthal to pathways to funnels

1997 • 2,277 citations

SB 203580 is a specific inhibitor of a MAP kinase homologue which is stimulated by cellular stresses and interleukin‐1

1995 • 2,080 citations

Discovering High-Affinity Ligands for Proteins: SAR by NMR

1996 • 1,986 citations

Fourier transform pulsed-gradient spin-echo studies of molecular diffusion

1987 • 1,354 citations

Association of Biomolecular Systems via Pulsed Field Gradient NMR Self-Diffusion Measurements

1995 • 469 citations

One-Dimensional Relaxation- and Diffusion-Edited NMR Methods for Screening Compounds That Bind to Macromolecules

1997 • 360 citations

Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR

1997 • 309 citations

The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase

1997 • 274 citations

Recent developments in transferred NOE methods

1994 • 273 citations

Pulse methods for the simplification of protein NMR spectra

1975 • 191 citations

NMR-Based Discovery of Lead Inhibitors That Block DNA Binding of the Human Papillomavirus E2 Protein

1997 • 164 citations

Screening Mixtures for Biological Activity by NMR

1997 • 161 citations

Self-Compensating Pulsed Magnetic-Field Gradients for Short Recovery Times

1994 • 129 citations

Chemical Exchange in Diffusion NMR Experiments

1998 • 88 citations

Microdrop screening: a rapid method to optimize solvent conditions for NMR spectroscopy of proteins.

1998 • 62 citations

Significant conformational changes in an antigenic carbohydrate epitope upon binding to a monoclonal antibody

1990 • 54 citations

Two-dimensional transferred nuclear Overhauser effect spectroscopy (TRNOESY) studies of nucleotide conformations in creatine kinase complexes: Effects due to weak nonspecific binding

1993 • 52 citations

Advances in diversity profiling and combinatorial series design

1999 • 49 citations

Hemoglobin affinity for 2,3-bisphosphoglycerate in solutions and intact erythrocytes: studies using pulsed-field gradient nuclear magnetic resonance and Monte Carlo simulations

1994 • 48 citations

A New Approach in the Use of Gradients for Size-Resolved 2D-NMR Experiments

1996 • 42 citations

Nuclear Overhauser Effect on Diffusion Measurements

1999 • 34 citations