Protein-protein recognition: exploring the energy funnels near the binding sites

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Protein Structure Comparison by Alignment of Distance Matrices

1993 • 3,989 citations

Classical Electrostatics in Biology and Chemistry

1995 • 2,801 citations

Funnels, pathways, and the energy landscape of protein folding: A synthesis

1995 • 2,607 citations

Analytical molecular surface calculation

1983 • 2,454 citations

From Levinthal to pathways to funnels

1997 • 2,277 citations

A geometric approach to macromolecule-ligand interactions

1982 • 2,146 citations

Solvation energy in protein folding and binding

1986 • 1,853 citations

Shape complementarity at protein–protein interfaces

1994 • 1,217 citations

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

1992 • 1,062 citations

Energetics of Protein Structure

1995 • 1,040 citations

The structure of protein-protein recognition sites.

1990 • 825 citations

Modelling protein docking using shape complementarity, electrostatics and biochemical information 1 1Edited by J. Thornton

1997 • 808 citations

Surface, subunit interfaces and interior of oligomeric proteins

1988 • 644 citations

Kinetics of protein-protein association explained by Brownian dynamics computer simulation.

1992 • 578 citations

Rapid, electrostatically assisted association of proteins

1996 • 562 citations

Determination of atomic desolvation energies from the structures of crystallized proteins

1997 • 540 citations

Critical evaluation of search algorithms for automated molecular docking and database screening

1997 • 525 citations

Toward an outline of the topography of a realistic protein-folding funnel.

1995 • 510 citations

Significance of Root-Mean-Square Deviation in Comparing Three-dimensional Structures of Globular Proteins

1994 • 424 citations

“Soft docking”: Matching of molecular surface cubes

1991 • 402 citations

Introduction to the theory of error

1955 • 381 citations

The price of lost freedom: entropy of bimolecular complex formation

1989 • 323 citations

Simulations of the Folding of a Globular Protein

1990 • 322 citations

The nature of protein folding pathways: The classical versus the new view

1995 • 315 citations

Protein docking and complementarity

1991 • 297 citations

Efficient detection of three-dimensional structural motifs in biological macromolecules by computer vision techniques.

1991 • 294 citations

Computer analysis of protein-protein interaction

1978 • 270 citations

Rusting of the Lock and Key Model for Protein-Ligand Binding

1991 • 223 citations

The magnitude of the backbone conformational entropy change in protein folding

1996 • 220 citations

Shape complementarity at the hemoglobin α₁β₁ subunit interface

1986 • 206 citations

The kinetics of protein-protein recognition

1997 • 205 citations

Hydrophobic docking: A proposed enhancement to molecular recognition techniques

1994 • 191 citations

A geometry-based suite of moleculardocking processes

1995 • 184 citations

On the prediction of protein structure: The significance of the root-mean-square deviation

1980 • 178 citations

Recognition of structural domains in globular proteins

1974 • 175 citations

The magnitude of the backbone conformational entropy change in protein folding

1996 • 172 citations

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

1995 • 166 citations

Theoretical determination of sterically allowed conformations of a polypeptide chain by a computer method

1965 • 159 citations

New algorithm to model protein-protein recognition based on surface complementarity

1992 • 152 citations

The stability of hydrogen-bonded peptide structures in aqueous solution.

1955 • 146 citations

Elusive affinities

1995 • 145 citations

Boundary element solution of macromolecular electrostatics: interaction energy between two proteins

1993 • 127 citations

A combinatorial algorithm for calculating ligand binding

1984 • 121 citations

Molecular surface recognition by a computer vision-based technique

1994 • 120 citations

Molecular Surface Complementarity at Protein-Protein Interfaces: The Critical Role Played by Surface Normals at Well Placed, Sparse, Points in Docking

1995 • 117 citations

Hydrogen Bonding and Molecular Surface Shape Complementarity as a Basis for Protein Docking

1996 • 113 citations

Molecular surface representations by sparse critical points

1994 • 110 citations

Affinity and Specificity of Serine Endopeptidase-Protein Inhibitor Interactions

1993 • 100 citations

Prediction of protein complexes using empirical free energy functions

1996 • 98 citations

Contact area difference (CAD): a robust measure to evaluate accuracy of protein models

1997 • 89 citations

Surface motifs by a computer vision technique: Searches, detection, and implications for protein–ligand recognition

1993 • 78 citations

Hemoglobin interaction in sickle cell fibers. I: Theoretical approaches to the molecular contacts.

1975 • 74 citations

Families and the structural relatedness among globular proteins

1993 • 71 citations

Comparison of homologous tertiary structures of proteins

1974 • 65 citations

On the problem of comparing protein structures

1982 • 51 citations

Docking enzyme‐inhibitor complexes using a preference‐based free‐energy surface

1996 • 51 citations

Consistency in structural energetics of protein folding and peptide recognition

1997 • 49 citations

The development of crystallographic enzymology.

1970 • 48 citations

Atomic solvation parameters in the analysis of protein‐protein docking results

1995 • 47 citations

Investigating protein-protein interaction surfaces using a reduced stereochemical and electrostatic model

1989 • 47 citations

Grid‐search molecular accessible surface algorithm for solving the protein docking problem

1991 • 45 citations

Shape distributions of protein topography

1992 • 38 citations

Computational determination of side chain specificity for pockets in class I MHC molecules

1996 • 36 citations

Extracting contact energies from protein structures: A study using a simplified model

1998 • 13 citations

The waters of life

1998 • 8 citations