Docking unbound proteins using shape complementarity, desolvation, and electrostatics

The Protein Data Bank

2000 • 35,287 citations

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

1983 • 14,615 citations

The interpretation of protein structures: Estimation of static accessibility

1971 • 5,771 citations

A comprehensive analysis of protein–protein interactions in Saccharomyces cerevisiae

2000 • 4,734 citations

Proteomics to study genes and genomes

2000 • 2,353 citations

The atomic structure of protein-protein recognition sites 1 1Edited by A. R. Fersht

1999 • 1,932 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

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

1997 • 808 citations

Toward a protein–protein interaction map of the budding yeast: A comprehensive system to examine two-hybrid interactions in all possible combinations between the yeast proteins

2000 • 799 citations

Analysis of protein-protein interaction sites using surface patches 1 1Edited by G.Von Heijne

1997 • 607 citations

Determination of atomic desolvation energies from the structures of crystallized proteins

1997 • 540 citations

Protein docking using spherical polar Fourier correlations

2000 • 539 citations

“Soft docking”: Matching of molecular surface cubes

1991 • 402 citations

Structural genomics: beyond the Human Genome Project

1999 • 385 citations

Protein docking using continuum electrostatics and geometric fit

2001 • 296 citations

BiGGER: A new (soft) docking algorithm for predicting protein interactions

2000 • 290 citations

Rapid refinement of protein interfaces incorporating solvation: application to the docking problem

1998 • 246 citations

An analysis of conformational changes on protein–protein association: implications for predictive docking

1999 • 205 citations

A geometry-based suite of moleculardocking processes

1995 • 184 citations

A systematic study of low-resolution recognition in protein–protein complexes

1999 • 181 citations

Protein-protein recognition

1995 • 178 citations

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

1995 • 166 citations

Examination of shape complementarity in docking ofUnbound proteins

1999 • 152 citations

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

1996 • 138 citations

Protein docking along smooth association pathways

2001 • 136 citations

Scoring docked conformations generated by rigid-body protein-protein docking

2000 • 132 citations

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

1994 • 132 citations

Protein docking using a genetic algorithm

2001 • 126 citations

Evaluation of GRAMM low-resolution docking methodology on the hemagglutinin-antibody complex

1997 • 124 citations

Protein docking algorithms: simulating molecular recognition

1993 • 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

Predictive docking of protein—protein and protein—DNA complexes

1998 • 111 citations

Prediction of protein complexes using empirical free energy functions

1996 • 98 citations

Evaluation of the CASP2 docking section

1997 • 94 citations

Comparison of protein–protein interactions in serine protease‐inhibitor and antibody‐antigen complexes: Implications for the protein docking problem

1999 • 85 citations

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

1999 • 66 citations

Optimal sampling of the rotation function

1972 • 58 citations

Predicting the structure of protein complexes: a step in the right direction

1996 • 51 citations

Consistency in structural energetics of protein folding and peptide recognition

1997 • 49 citations

Protein therapeutics: promises and challenges for the 21st century

2002 • 42 citations

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

1996 • 36 citations

Protein-Protein Docking: Generation and Filtering of Complexes

2003 • 22 citations

Estimation and filtering of potential protein-protein docking positions.

1998 • 19 citations