Evidence of Conformational Selection Driving the Formation of Ligand Binding Sites in Protein-Protein Interfaces

LIBSA – A Method for the Determination of Ligand-Binding Preference to Allosteric Sites on Receptor Ensembles

(2014) Harrison J. Hocker et al.   Journal of Chemical Information and Modeling

FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spots

(2013) Laurie E. Grove et al.   BIOINFORMATICS

TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins

(2013) Daria B. Kokh et al.   Journal of Chemical Information and Modeling

PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis

(2013) Ariele Viacava Follis et al.   Nature Chemical Biology

Interplay of physics and evolution in the likely origin of protein biochemical function

(2013) Jeffrey Skolnick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Detection of peptide-binding sites on protein surfaces: The first step toward the modeling and targeting of peptide-mediated interactions

(2013) Assaf Lavi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Druggable Protein Interaction Sites Are More Predisposed to Surface Pocket Formation than the Rest of the Protein Surface

(2013) David K. Johnson et al.   PLoS Computational Biology

A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins

(2013) Mu Gao et al.   PLoS Computational Biology

Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors

(2012) Klaus Michelsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery

(2012) Anja Winter et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Induced Fit or Conformational Selection? The Role of the Semi-closed State in the Maltose Binding Protein

(2011) Denis Bucher et al.   BIOCHEMISTRY

FTSite: high accuracy detection of ligand binding sites on unbound protein structures

(2011) Chi-Ho Ngan et al.   BIOINFORMATICS

The structural basis of Edc3- and Scd6-mediated activation of the Dcp1:Dcp2 mRNA decapping complex

(2011) Simon A Fromm et al.   EMBO JOURNAL

Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface

(2011) Alexander Metz et al.   Journal of Chemical Information and Modeling

The Structural and Dynamic Response of MAGI-1 PDZ1 with Noncanonical Domain Boundaries to the Binding of Human Papillomavirus E6

(2011) Sebastian Charbonnier et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural conservation of druggable hot spots in protein-protein interfaces

(2011) D. Kozakov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Pre-existing soft modes of motion uniquely defined by native contact topology facilitate ligand binding to proteins

(2011) Lidio Meireles et al.   PROTEIN SCIENCE

From “fluctuation fit” to “conformational selection”: Evolution, rediscovery, and integration of a concept

(2010) Beáta G. Vértessy et al.   BIOESSAYS

From Induced Fit to Conformational Selection: A Continuum of Binding Mechanism Controlled by the Timescale of Conformational Transitions

(2010) Huan-Xiang Zhou   BIOPHYSICAL JOURNAL

Targeting protein interactions of p53 for therapeutic intervention: Success in a frustrated landscape

(2010) Tom L. Blundell et al.   CELL CYCLE

Targeting protein–protein interactions for therapeutic intervention: a challenge for the future

(2010) Giovanna Zinzalla et al.   Future Medicinal Chemistry

Induced fit, conformational selection and independent dynamic segments: an extended view of binding events

(2010) Peter Csermely et al.   TRENDS IN BIOCHEMICAL SCIENCES

Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques

(2009) Ryan Brenke et al.   BIOINFORMATICS

Pharmacophore-Based Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions between HIV-1 Integrase and Cellular Cofactor LEDGF/p75

(2009) Laura De Luca et al.   ChemMedChem

The role of dynamic conformational ensembles in biomolecular recognition

(2009) David D Boehr et al.   Nature Chemical Biology

Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin

(2009) T. Wlodarski et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting druggable binding sites at the protein–protein interface

(2008) Jonathan C. Fuller et al.   DRUG DISCOVERY TODAY

BAX activation is initiated at a novel interaction site

(2008) Evripidis Gavathiotis et al.   NATURE

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

(2008) O. F. Lange et al.   SCIENCE