Analysis of the binding surfaces of proteins

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1985 • 2,597 citations

Discovering High-Affinity Ligands for Proteins: SAR by NMR

1996 • 1,986 citations

A Hot Spot of Binding Energy in a Hormone-Receptor Interface

1995 • 1,943 citations

Asymmetric transformations catalyzed by enzymes in organic solvents

1990 • 968 citations

Protein Hydration in Aqueous Solution

1991 • 778 citations

Functionality maps of binding sites: A multiple copy simultaneous search method

1991 • 535 citations

Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

1996 • 504 citations

Bound water molecules and conformational stabilization help mediate an antigen-antibody association.

1994 • 471 citations

Crystal structure of the thrombin-hirudin complex: a novel mode of serine protease inhibition.

1990 • 362 citations

Substrate specificity and affinity of a protein modulated by bound water molecules

1989 • 246 citations

Water-Protein Interactions: Theory and Experiment

1991 • 239 citations

Water and proteins. II. The location and dynamics of water in protein systems and its relation to their stability and properties

1983 • 236 citations

A Direct Measure of the Contribution of Solvent Reorganization to the Enthalpy of Binding

1994 • 227 citations

Enzyme crystal structure in a neat organic solvent.

1993 • 223 citations

An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins

1996 • 184 citations

Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions

1995 • 180 citations

Determinants of repressor/operator recognition from the structure of the trp operator binding site

1994 • 173 citations

X-ray studies of water in crystals of lysozyme

1983 • 168 citations

X-ray crystal structures of transforming p21 ras mutants suggest a transition-state stabilization mechanism for GTP hydrolysis.

1992 • 132 citations

High-Resolution Crystallographic Analysis of a Co-operative Dimeric Hemoglobin

1994 • 122 citations

Conservation of solvent‐binding sites in 10 crystal forms of T4 lysozyme

1994 • 115 citations

Ordered water in macromolecular structure

1994 • 100 citations

Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins

1995 • 97 citations

The Hydrolytic Water Molecule in Trypsin, Revealed by Time-Resolved Laue Crystallography

1993 • 95 citations

Water mediated protein‐DNA interactions: The relationship of thermodynamics to structural detail

1996 • 91 citations

Analogous inhibitors of elastase do not always bind analogously

1994 • 90 citations

Water and proteins. I. The significance and structure of water; its interaction with electrolytes and non-electrolytes.

1978 • 89 citations

X-Ray Crystal Structure of Cross-Linked Subtilisin Carlsberg in Water vs Acetonitrile

1994 • 87 citations

High resolution structures of the 4–4-20 Fab-fluorescein complex in two solvent systems: effects of solvent on structure and antigen-binding affinity

1994 • 77 citations

Interaction of a Peptidomimetic Aminimide Inhibitor with Elastase

1995 • 49 citations

Patterns for Prediction of Hydration around Polar Residues in Proteins

1993 • 45 citations

The active site of porcine elastase

1975 • 41 citations

Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors

1995 • 28 citations

Modularity of protein function: Chimeric interleukin 1.beta.s containing specific protease inhibitor loops retain function of both molecules

1993 • 16 citations

The Structural Basis for Pseudoreversion of the E165D Lesion by the Secondary S96P Mutation in Triosephosphate Isomerase Depends on the Positions of Active Site Water Molecules

1995 • 14 citations

Plasticity of crystalline proteins

1991 • 14 citations