Computational design of protein–protein interactions

Classical Electrostatics in Biology and Chemistry

1995 • 2,801 citations

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

1999 • 1,932 citations

Anatomy of hot spots in protein interfaces

1998 • 1,908 citations

Predicting Changes in the Stability of Proteins and Protein Complexes: A Study of More Than 1000 Mutations

2002 • 1,674 citations

Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

2003 • 1,619 citations

De Novo Protein Design: Fully Automated Sequence Selection

1997 • 1,129 citations

A simple physical model for binding energy hot spots in protein–protein complexes

2002 • 812 citations

Native protein sequences are close to optimal for their structures

2000 • 811 citations

Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free Energies

1999 • 741 citations

Computational design of receptor and sensor proteins with novel functions

2003 • 665 citations

An Orientation-dependent Hydrogen Bonding Potential Improves Prediction of Specificity and Structure for Proteins and Protein–Protein Complexes

2003 • 510 citations

High-Resolution Protein Design with Backbone Freedom

1998 • 457 citations

Enzyme-like proteins by computational design

2001 • 404 citations

Rewiring MAP Kinase Pathways Using Alternative Scaffold Assembly Mechanisms

2003 • 359 citations

Interrogating protein interaction networks through structural biology

2002 • 343 citations

Structural Features of Protein−Nucleic Acid Recognition Sites

1999 • 337 citations

Automated design of specificity in molecular recognition

2002 • 313 citations

A Large Scale Test of Computational Protein Design: Folding and Stability of Nine Completely Redesigned Globular Proteins

2003 • 307 citations

De novo design of the hydrophobic cores of proteins

1995 • 301 citations

Computational alanine scanning of the 1:1 human growth hormone–receptor complex

2001 • 297 citations

De NovoDesign of Helical Bundles as Models for Understanding Protein Folding and Function

2000 • 296 citations

Design, Activity, and Structure of a Highly Specific Artificial Endonuclease

2002 • 232 citations

Computer-based redesign of a protein folding pathway.

2001 • 223 citations

Wet and dry interfaces: the role of solvent in protein–protein and protein–DNA recognition

1999 • 217 citations

Energy functions for protein design

1999 • 214 citations

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

1999 • 205 citations

Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.

2001 • 195 citations

Computational protein design

1999 • 193 citations

Structural basis and prediction of substrate specificity in protein serine/threonine kinases

2002 • 191 citations

Trading accuracy for speed: a quantitative comparison of search algorithms in protein sequence design 1 1Edited by J. Thornton

2000 • 190 citations

Computer-aided design of a PDZ domain to recognize new target sequences

2002 • 155 citations

Side-chain and backbone flexibility in protein core design 1 1Edited by A. R. Fersht

1999 • 146 citations

NMR methods for characterizing microsecond to millisecond dynamics in recognition and catalysis

2002 • 129 citations

Construction of new ligand binding sites in proteins of known structure

1991 • 127 citations

Review: Protein Design—Where We Were, Where We Are, Where We're Going

2001 • 122 citations

Barstar is electrostatically optimized for tight binding to barnase.

2001 • 119 citations

Modulating Calmodulin Binding Specificity through Computational Protein Design

2002 • 117 citations

The emerging power of chemical genetics

2002 • 117 citations

Conformational strain in the hydrophobic core and its implications for protein folding and design

2002 • 109 citations

Protein–protein docking predictions for the CAPRI experiment

2003 • 104 citations

Energy estimation in protein design

2002 • 95 citations

SH3-SPOT: an algorithm to predict preferred ligands to different members of the SH3 gene family

2000 • 91 citations

Redirecting tyrosine kinase signaling to an apoptotic caspase pathway through chimeric adaptor proteins

2003 • 90 citations

Amino acids determining enzyme-substrate specificity in prokaryotic and eukaryotic protein kinases

2003 • 89 citations

Accurate computer-based design of a new backbone conformation in the second turn of protein L

2002 • 86 citations

Computer search algorithms in protein modification and design

1998 • 84 citations

Evaluation of Models of Electrostatic Interactions in Proteins

2003 • 48 citations

Calculation of HyHel10-lysozyme binding free energy changes: Effect of ten point mutations

1998 • 46 citations

Rational design of a GCN4-derived mimetic of interleukin-4.

1999 • 46 citations

Prudent Modeling of Core Polar Residues in Computational Protein Design

2003 • 44 citations

From synthetic coiled coils to functional proteins: automated design of a receptor for the calmodulin-binding domain of calcineurin

1998 • 40 citations

Virtual interaction profiles of proteins

2001 • 32 citations