A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations

Atomistic molecular simulations of protein folding

(2012) Robert B Best   CURRENT OPINION IN STRUCTURAL BIOLOGY

Residual Structures, Conformational Fluctuations, and Electrostatic Interactions in the Synergistic Folding of Two Intrinsically Disordered Proteins

(2012) Weihong Zhang et al.   PLoS Computational Biology

The transiently ordered regions in intrinsically disordered ExsE are correlated with structural elements involved in chaperone binding

(2011) Zhida Zheng et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Constructing ensembles for intrinsically disordered proteins

(2011) Charles K Fisher et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Anchoring Intrinsically Disordered Proteins to Multiple Targets: Lessons from N-Terminus of the p53 Protein

(2011) Yongqi Huang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Energy Landscape Analyses of Disordered Histone Tails Reveal Special Organization of Their Conformational Dynamics

(2011) Davit A. Potoyan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What Is the Time Scale for α-Helix Nucleation?

(2011) David De Sancho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Native Ensemble and Folding of a Protein Molten-Globule: Functional Consequence of Downhill Folding

(2011) Athi N. Naganathan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Free-Energy Landscape for Coupled Folding and Binding of an Intrinsically Disordered Protein in Explicit Solvent from Detailed All-Atom Computations

(2011) Junichi Higo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The roles of contact residue disorder and domain composition in characterizing protein–ligand binding specificity and promiscuity

(2011) Yurong Tang et al.   Molecular BioSystems

Synergistic folding of two intrinsically disordered proteins: searching for conformational selection

(2011) Debabani Ganguly et al.   Molecular BioSystems

Modulation of an IDP binding mechanism and rates by helix propensity and non-native interactions: association of HIF1α with CBP

(2011) David De Sancho et al.   Molecular BioSystems

The ensemble folding kinetics of the FBP28 WW domain revealed by an all-atom Monte Carlo simulation in a knowledge-based potential

(2011) Jiabin Xu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

How Fast-Folding Proteins Fold

(2011) K. Lindorff-Larsen et al.   SCIENCE

Using NMR to study fast dynamics in proteins: methods and applications

(2010) Paul J Sapienza et al.   CURRENT OPINION IN PHARMACOLOGY

Fluorescence anisotropy and resonance energy transfer: powerful tools for measuring real time protein dynamics in a physiological environment

(2010) Christopher M Yengo et al.   CURRENT OPINION IN PHARMACOLOGY

Taming the complexity of protein folding

(2010) Gregory R Bowman et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Intrinsically Disordered Proteins in a Physics-Based World

(2010) Timothy H. Click et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Protein Simulations with an Optimized Water Model: Cooperative Helix Formation and Temperature-Induced Unfolded State Collapse

(2010) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

DNA search efficiency is modulated by charge composition and distribution in the intrinsically disordered tail

(2010) D. Vuzman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Conformational selection in the molten globule state of the nuclear coactivator binding domain of CBP

(2010) Magnus Kjaergaard et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Catalytic and chaperone-like functions in an intrinsically disordered protein associated with desiccation tolerance

(2010) S. Chakrabortee et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Smoothing molecular interactions: The “kinetic buffer” effect of intrinsically disordered proteins

(2010) Yongqi Huang et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

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

Biophysical characterization of intrinsically disordered proteins

(2009) David Eliezer   CURRENT OPINION IN STRUCTURAL BIOLOGY

Linking folding and binding

(2009) Peter E Wright et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Cold stability of intrinsically disordered proteins

(2009) Agnes Tantos et al.   FEBS LETTERS

Multidimensional generalized-ensemble algorithms for complex systems

(2009) Ayori Mitsutake et al.   JOURNAL OF CHEMICAL PHYSICS

Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

(2009) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The role of dynamic conformational ensembles in biomolecular recognition

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

Single-molecule spectroscopy of the temperature-induced collapse of unfolded proteins

(2009) D. Nettels et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

NMR Relaxation Study of the Complex Formed Between CBP and the Activation Domain of the Nuclear Hormone Receptor Coactivator ACTR†

(2008) Marc-Olivier Ebert et al.   BIOCHEMISTRY

Function and structure of inherently disordered proteins

(2008) A Keith Dunker et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Contribution of Ser386 and Ser396 to Activation of Interferon Regulatory Factor 3

(2008) Weijun Chen et al.   JOURNAL OF MOLECULAR BIOLOGY

Malleable machines take shape in eukaryotic transcriptional regulation

(2008) Monika Fuxreiter et al.   Nature Chemical Biology

Dynamic equilibrium engagement of a polyvalent ligand with a single-site receptor

(2008) T. Mittag et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Binding-Induced Folding of a Natively Unstructured Transcription Factor

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

The origins of asymmetry in the folding transition states of protein L and protein G

(2002) John Karanicolas et al.   PROTEIN SCIENCE