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

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

1985 • 2,597 citations

Hydrogen Bonding in Biological Structures

1991 • 2,456 citations

Hydrogen bonding in biological structures

1992 • 2,400 citations

Hydrogen bonding in globular proteins

1984 • 1,760 citations

Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis.

1990 • 1,077 citations

Crystal structure of trp represser/operator complex at atomic resolution

1988 • 899 citations

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.

1982 • 737 citations

Atomic Structure of FKBP-FK506, an Immunophilin-Immunosuppressant Complex

1991 • 641 citations

Crystallographic refinement and atomic models of two different forms of citrate synthase at 2·7 and 1·7 Å resolution

1982 • 495 citations

An Unlikely Sugar Substrate Site in the 1.65 Å Structure of the Human Aldose Reductase Holoenzyme Implicated in Diabetic Complications

1992 • 431 citations

Sugar and Signal-Transducer Binding Sites of the Escherichia coli Galactose Chemoreceptor Protein

1988 • 344 citations

Structure-Based Molecular Design

1994 • 323 citations

Handbook of applicable mathematics

1980 • 312 citations

Buried waters and internal cavities in monomeric proteins

1994 • 280 citations

Structure of holo-glyceraldehyde-3-phosphate dehydrogenase from Bacillus stearothermophilus at 1.8 Å resolution

1987 • 277 citations

Internal cavities and buried waters in globular proteins

1986 • 268 citations

The crystal structure of the ternary complex of staphylococcal nuclease, Ca²⁺ and the inhibitor pdTp, refined at 1.65 Å

1989 • 258 citations

Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution.

1990 • 247 citations

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

1989 • 246 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

Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-A resolution.

1989 • 231 citations

Distributions of water around amino acid residues in proteins

1988 • 216 citations

Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 Å resolution

1980 • 214 citations

Comparison of two highly refined structures of bovine pancreatic trypsin inhibitor

1987 • 210 citations

X-ray analysis of D-xylose isomerase at 1.9 A: native enzyme in complex with substrate and with a mechanism-designed inactivator.

1989 • 191 citations

Intramolecular cavities in globular proteins

1994 • 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

Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography: a novel class of transition-state analogs for zinc peptidases

1984 • 153 citations

Refined crystal structure of type III chloramphenicol acetyltransferase at 1·75 Å resolution

1990 • 140 citations

Design and synthesis of new enzymes based on the lactate dehydrogenase framework

1991 • 128 citations

The Role of a Conserved Internal Water Molecule and Its Associated Hydrogen Bond Network in Cytochrfome c

1994 • 113 citations

Solvent structure in crystals of trypsin determined by X‐ray and neutron diffraction

1992 • 101 citations

Buried water in homologous serine proteases

1992 • 98 citations

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

1995 • 97 citations

The organization and function of water in protein crystals

1977 • 96 citations

Hydration in drug design. 2. Influence of local site surface shape on water binding

1995 • 87 citations

Conserved waters in legume lectin crystal structures. The importance of bound water for the sequence-structure relationship within the legume lectin family.

1994 • 69 citations

Crystal structure of two covalent nucleoside derivatives of ribonuclease A

1990 • 51 citations

New perspectives in drug design

1995 • 49 citations

X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin

1993 • 48 citations

Restrained least-squares refinement of the crystal structure of the ribonuclease T₁*2'-guanylic acid complex at 1·9 Å resolution

1987 • 41 citations

Detection of Long-lived Bound Water Molecules in Complexes of Human Dihydrofolate Reductase with Methotrexate and NADPH

1995 • 32 citations