Conformational selection in protein binding and function

Reconstructing Folding Energy Landscapes by Single-Molecule Force Spectroscopy

(2014) Michael T. Woodside et al.   Annual Review of Biophysics

Protein conformational dynamics dictate the binding affinity for a ligand

(2014) Moon-Hyeong Seo et al.   Nature Communications

Computing protein dynamics from protein structure with elastic network models

(2014) Ugo Bastolla   Wiley Interdisciplinary Reviews-Computational Molecular Science

Conformational Selection Is a Dominant Mechanism of Ligand Binding

(2013) Austin D. Vogt et al.   BIOCHEMISTRY

How conformational changes can affect catalysis, inhibition and drug resistance of enzymes with induced-fit binding mechanism such as the HIV-1 protease

(2013) Thomas R. Weikl et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Kinetics of Ligand-Receptor Interaction Reveals an Induced-Fit Mode of Binding in a Cyclic Nucleotide-Activated Protein

(2013) Sebastian Peuker et al.   BIOPHYSICAL JOURNAL

A single-molecule dissection of ligand binding to a protein with intrinsic dynamics

(2013) Eunkyung Kim et al.   Nature Chemical Biology

Conformational selection and induced changes along the catalytic cycle ofEscherichia colidihydrofolate reductase

(2013) Thomas R. Weikl et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Conformational Selection or Induced Fit? A Critical Appraisal of the Kinetic Mechanism

(2012) Austin D. Vogt et al.   BIOCHEMISTRY

Dynamics and mechanisms of coupled protein folding and binding reactions

(2012) Thomas Kiefhaber et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Force as a single molecule probe of multidimensional protein energy landscapes

(2012) Gabriel Žoldák et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

EMMA: A Software Package for Markov Model Building and Analysis

(2012) Martin Senne et al.   Journal of Chemical Theory and Computation

Kinetic characterization of the critical step in HIV-1 protease maturation

(2012) S. K. Sadiq et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Single-Molecule Fluorescence Experiments Determine Protein Folding Transition Path Times

(2012) H. S. Chung et al.   SCIENCE

How Conformational Dynamics of DNA Polymerase Select Correct Substrates: Experiments and Simulations

(2012) Serdal Kirmizialtin et al.   STRUCTURE

Simulations of allosteric transitions

(2011) Ron Elber   CURRENT OPINION IN STRUCTURAL BIOLOGY

Mapping backbone and side-chain interactions in the transition state of a coupled protein folding and binding reaction

(2011) A. Bachmann 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

50th anniversary of the word “allosteric”

(2011) Jean-Pierre Changeux   PROTEIN SCIENCE

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein

(2011) Daniel-Adriano Silva et al.   PLoS Computational Biology

Global Dynamics of Proteins: Bridging Between Structure and Function

(2010) Ivet Bahar et al.   Annual Review of Biophysics

Molecular Simulation ofab InitioProtein Folding for a Millisecond Folder NTL9(1−39)

(2010) Vincent A. Voelz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics

(2010) C. F. Abrams et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rigor to Post-Rigor Transition in Myosin V: Link between the Dynamics and the Supporting Architecture

(2010) Riina Tehver et al.   STRUCTURE

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

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

Theory, Practice, and Applications of Paramagnetic Relaxation Enhancement for the Characterization of Transient Low-Population States of Biological Macromolecules and Their Complexes

(2009) G. Marius Clore et al.   CHEMICAL REVIEWS

Progress and challenges in the automated construction of Markov state models for full protein systems

(2009) Gregory R. Bowman et al.   JOURNAL OF CHEMICAL PHYSICS

The role of dynamic conformational ensembles in biomolecular recognition

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

Conformational selection or induced fit: A flux description of reaction mechanism

(2009) G. G. Hammes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Ligand-induced global transitions in the catalytic domain of protein kinase A

(2009) C. Hyeon et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations

(2009) Frank Noé et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Characterization of Enzyme Motions by Solution NMR Relaxation Dispersion

(2008) J. Patrick Loria et al.   ACCOUNTS OF CHEMICAL RESEARCH

Residence Time of Receptor−Ligand Complexes and Its Effect on Biological Function

(2008) Peter J. Tummino et al.   BIOCHEMISTRY

Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

(2008) Jarek Juraszek et al.   BIOPHYSICAL JOURNAL

Protein folding studied by single-molecule FRET

(2008) Benjamin Schuler et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Coarse Master Equations for Peptide Folding Dynamics†

(2008) Nicolae-Viorel Buchete et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insights into protein flexibility: The relationship between normal modes and conformational change upon protein-protein docking

(2008) S. E. Dobbins et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection

(2008) S. M. Sullivan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Selected-fit versus induced-fit protein binding: Kinetic differences and mutational analysis

(2008) Thomas R. Weikl et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

(2008) O. F. Lange et al.   SCIENCE

Binding-Induced Folding of a Natively Unstructured Transcription Factor

(2008) Adrian Gustavo Turjanski et al.   PLoS Computational Biology