Unraveling hot spots in binding interfaces: progress and challenges

Principles of protein-protein interactions.

1996 • 2,594 citations

A Hot Spot of Binding Energy in a Hormone-Receptor Interface

1995 • 1,943 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

Crystal Structure of a Neutralizing Human IgG Against HIV-1: A Template for Vaccine Design

2001 • 887 citations

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

1999 • 741 citations

Folding and binding cascades: Dynamic landscapes and population shifts

2000 • 585 citations

Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions

2001 • 528 citations

Understanding protein folding via free-energy surfaces from theory and experiment

2000 • 494 citations

Site-directed ligand discovery

2000 • 446 citations

A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5

2000 • 430 citations

ASEdb: a database of alanine mutations and their effects on the free energy of binding in protein interactions

2001 • 392 citations

Rapid mapping of protein functional epitopes by combinatorial alanine scanning

2000 • 330 citations

Dissection of a Nuclear Localization Signal

2001 • 322 citations

Side-chain flexibility in proteins upon ligand binding

2000 • 289 citations

Conservation of polar residues as hot spots at protein interfaces

2000 • 283 citations

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

1999 • 217 citations

New Structural and Functional Aspects of the Type I Interferon-Receptor Interaction Revealed by Comprehensive Mutational Analysis of the Binding Interface

2000 • 146 citations

An Analysis of the Interactions between the Sem−5 SH3 Domain and Its Ligands Using Molecular Dynamics, Free Energy Calculations, and Sequence Analysis

2001 • 132 citations

Energetic Determinants of Internal Motif Recognition by PDZ Domains

2001 • 126 citations

Protein functional epitopes: hot spots, dynamics and combinatorial libraries

2001 • 110 citations

Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior

2001 • 105 citations

Evidence that a protein-protein interaction 'hot spot' on heterotrimeric G protein betagamma subunits is used for recognition of a subclass of effectors

2001 • 103 citations

The peroxisomal membrane protein Pex13p shows a novel mode of SH3 interaction

2000 • 90 citations

Improved Scoring of Ligand−Protein Interactions Using OWFEG Free Energy Grids

2001 • 88 citations

Structural evidence for recognition of a single epitope by two distinct antibodies

2000 • 78 citations

Structural response to mutation at a protein-protein interface 1 1Edited by R. Huber

1999 • 72 citations

Lysine 322 in the human IgG3 CH2 domain is crucial for antibody dependent complement activation

2000 • 70 citations

Functional Significance of the β-Hairpin in the Insecticidal Neurotoxin ω-Atracotoxin-Hv1a

2001 • 68 citations

Exhaustive mutagenesis in silico: Multicoordinate free energy calculations on proteins and peptides

2000 • 65 citations

Single Amino Acid Substitutions in κ-Conotoxin PVIIA Disrupt Interaction with the Shaker K+ Channel

2000 • 58 citations

Identification of the ligand-binding site of the BMP type IA receptor for BMP-4

2000 • 54 citations

Analysis of the interactions of human ribonuclease inhibitor with angiogenin and ribonuclease A by mutagenesis: importance of inhibitor residues inside versus outside the C-terminal “hot spot” 1 1Edited by J. Wells

2000 • 51 citations

Fast Transient Cytokine–Receptor Interactions Monitored in Real Time by Reflectometric Interference Spectroscopy

2001 • 50 citations

A Novel Family of Hairpin Peptides That Inhibit IgE Activity by Binding to the High-Affinity IgE Receptor

2001 • 49 citations

Epitope mapping for four monoclonal antibodies against human plasminogen activator inhibitor type‐1

2001 • 48 citations

Computationally accessible method for estimating free energy changes resulting from site-specific mutations of biomolecules: Systematic model building and structural/hydropathic analysis of deoxy and oxy hemoglobins

2001 • 43 citations

Scanning Mutagenesis Identifies Amino Acid Side Chains in Transmembrane Domain 5 of the M₁Muscarinic Receptor that Participate in Binding the Acetyl Methyl Group of Acetylcholine

2000 • 41 citations

Structure−Function Analysis of a Phage Display-Derived Peptide That Binds to Insulin-like Growth Factor Binding Protein 1

2001 • 38 citations

N-terminal Residues of Plasmatocyte-spreading Peptide Possess Specific Determinants Required for Biological Activity

2001 • 27 citations

Modeling implicit reorganization in continuum descriptions of protein-protein interactions

2000 • 26 citations

Evaluation of protein–protein association energies by free energy perturbation calculations

2000 • 23 citations

Theoretical Studies Suggest a New Antifolate as a More Potent Inhibitor of Thymidylate Synthase

2000 • 19 citations

Development of laminin receptor agonists: identification of important functional residues by alanine scanning

2000 • 14 citations

Alanine Scanning Mutants of Rat Proinsulin I Show Functional Diversity of Anti-Insulin Monoclonal Antibodies

2000 • 9 citations