Molecular docking programs successfully predict the binding of a β-lactamase inhibitory protein to TEM-1 β-lactamase

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1991 • 14,222 citations

Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons

1991 • 5,267 citations

Classical Electrostatics in Biology and Chemistry

1995 • 2,801 citations

ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

1994 • 1,630 citations

Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques.

1992 • 1,062 citations

Molecular structure of the acyl-enzyme intermediate in β-lactam hydrolysis at 1.7 Å resolution

1992 • 515 citations

Molecular docking using shape descriptors

1992 • 420 citations

“Soft docking”: Matching of molecular surface cubes

1991 • 402 citations

Protein docking and complementarity

1991 • 297 citations

A Continuum Model for Protein–Protein Interactions: Application to the Docking Problem

1995 • 166 citations

Protein‐protein recognition analyzed by docking simulation

1991 • 147 citations

A potent new mode of β-lactamase inhibition revealed by the 1.7 Å X-ray crystallographic structure of the TEM-1–BLIP complex

1996 • 132 citations

Detailed ab initio prediction of lysozyme–antibody complex with 1.6 Å accuracy

1994 • 132 citations

Approximation and characterization of molecular surfaces

1993 • 123 citations

Protein docking algorithms: simulating molecular recognition

1993 • 120 citations

The Protein Folding Problem and Tertiary Structure Prediction

1994 • 120 citations

Structural and kinetic characterization of a β-lactamase-inhibitor protein

1994 • 117 citations

Shape analysis of molecular surfaces

1993 • 88 citations

Application of scaled particle theory to model the hydrophobic effect: implications for molecular association and protein stability

1994 • 87 citations

Protein surface area defined

1993 • 36 citations

Multiple-Start Monte Carlo Docking of Flexible Ligands

1994 • 12 citations