Chemical exchange in biomacromolecules: past, present, and future.

Intrinsic unfoldase/foldase activity of the chaperonin GroEL directly demonstrated using multinuclear relaxation-based NMR. Proc Natl Acad Sci U S A (2015) 1.32

Visualizing transient Watson-Crick-like mispairs in DNA and RNA duplexes. Nature (2015) 1.03

Enzyme dynamics from NMR spectroscopy. Acc Chem Res (2015) 0.93

Dynamic Equilibria of Short-Range Electrostatic Interactions at Molecular Interfaces of Protein-DNA Complexes. J Phys Chem Lett (2015) 0.91

Physicochemical Properties of Ion Pairs of Biological Macromolecules. Biomolecules (2015) 0.87

Studying Dynamics by Magic-Angle Spinning Solid-State NMR Spectroscopy: Principles and Applications to Biomolecules. Prog Nucl Magn Reson Spectrosc (2016) 0.87

Invisible RNA state dynamically couples distant motifs. Proc Natl Acad Sci U S A (2014) 0.86

Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway. J Am Chem Soc (2015) 0.85

NMR Methods to Study Dynamic Allostery. PLoS Comput Biol (2016) 0.82

A dynamic look backward and forward. J Magn Reson (2016) 0.82

Widespread transient Hoogsteen base pairs in canonical duplex DNA with variable energetics. Nat Commun (2014) 0.81

Residence Times of Molecular Complexes in Solution from NMR Data of Intermolecular Hydrogen-Bond Scalar Coupling. J Phys Chem Lett (2016) 0.81

Visualizing the formation of an RNA folding intermediate through a fast highly modular secondary structure switch. Nat Commun (2016) 0.80

Characterizing excited conformational states of RNA by NMR spectroscopy. Curr Opin Struct Biol (2015) 0.80

Evaluating the influence of initial magnetization conditions on extracted exchange parameters in NMR relaxation experiments: applications to CPMG and CEST. J Biomol NMR (2016) 0.79

Characterizing RNA Excited States Using NMR Relaxation Dispersion. Methods Enzymol (2015) 0.79

Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings. J Am Chem Soc (2015) 0.78

Conformational Selection in a Protein-Protein Interaction Revealed by Dynamic Pathway Analysis. Cell Rep (2015) 0.78

Biophysical and computational methods to analyze amino acid interaction networks in proteins. Comput Struct Biotechnol J (2016) 0.78

Speeding-up exchange-mediated saturation transfer experiments by Fourier transform. J Biomol NMR (2015) 0.77

The energetics of a three-state protein folding system probed by high-pressure relaxation dispersion NMR spectroscopy. Angew Chem Int Ed Engl (2015) 0.77

Guanine to inosine substitution leads to large increases in the population of a transient G·C Hoogsteen base pair. Biochemistry (2014) 0.76

STARD6 on steroids: solution structure, multiple timescale backbone dynamics and ligand binding mechanism. Sci Rep (2016) 0.76

New insights into Hoogsteen base pairs in DNA duplexes from a structure-based survey. Nucleic Acids Res (2015) 0.76

Applications of NMR and computational methodologies to study protein dynamics. Arch Biochem Biophys (2017) 0.76

Role of Conformational Motions in Enzyme Function: Selected Methodologies and Case Studies. Catalysts (2016) 0.75

Confinement and Stabilization of Fyn SH3 Folding Intermediate Mimetics within the Cavity of the Chaperonin GroEL Demonstrated by Relaxation-Based NMR. Biochemistry (2017) 0.75

Distribution of Pico- and Nanosecond Motions in Disordered Proteins from Nuclear Spin Relaxation. Biophys J (2015) 0.75

Excited States of Nucleic Acids Probed by Proton Relaxation Dispersion NMR Spectroscopy. Angew Chem Int Ed Engl (2016) 0.75

Conformational flexibility in the binding surface of the potassium channel blocker ShK. Chembiochem (2014) 0.75

General expressions for R1ρ relaxation for N-site chemical exchange and the special case of linear chains. J Magn Reson (2016) 0.75

Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins. J Biol Chem (2015) 0.75

Molecular Cross-Talk between Nonribosomal Peptide Synthetase Carrier Proteins and Unstructured Linker Regions. Chembiochem (2017) 0.75

An excited state underlies gene regulation of a transcriptional riboswitch. Nat Chem Biol (2017) 0.75

Exploration of the Conformational Dynamics of Major Histocompatibility Complex Molecules. Front Immunol (2017) 0.75

Probing conformational dynamics in biomolecules via chemical exchange saturation transfer: a primer. J Biomol NMR (2017) 0.75

Backbone dynamics of proteins as studied by 15N inverse detected heteronuclear NMR spectroscopy: application to staphylococcal nuclease. Biochemistry (1989) 10.50

Atomic-level characterization of the structural dynamics of proteins. Science (2010) 8.36

Intrinsic dynamics of an enzyme underlies catalysis. Nature (2005) 7.32

Mechanism of coupled folding and binding of an intrinsically disordered protein. Nature (2007) 6.26

Two-state allosteric behavior in a single-domain signaling protein. Science (2001) 6.07

Nuclear magnetic resonance methods for quantifying microsecond-to-millisecond motions in biological macromolecules. Methods Enzymol (2001) 5.58

Dynamically driven protein allostery. Nat Struct Mol Biol (2006) 4.53

Chemical exchange saturation transfer (CEST): what is in a name and what isn't? Magn Reson Med (2011) 4.08

A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis. Science (2011) 3.19

A heteronuclear correlation experiment for simultaneous determination of 15N longitudinal decay and chemical exchange rates of systems in slow equilibrium. J Biomol NMR (1994) 3.14

A transient and low-populated protein-folding intermediate at atomic resolution. Science (2010) 3.08

Conformational selection or induced fit: a flux description of reaction mechanism. Proc Natl Acad Sci U S A (2009) 3.03

At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis? Proteins (2010) 2.69

Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature (2011) 2.49

Transient Hoogsteen base pairs in canonical duplex DNA. Nature (2011) 2.46

Structure of an intermediate state in protein folding and aggregation. Science (2012) 2.24

Direct measurements of the dissociation-rate constant for inhibitor-enzyme complexes via the T1 rho and T2 (CPMG) methods. J Magn Reson B (1994) 1.97

Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions. Proc Natl Acad Sci U S A (2011) 1.94

Hidden dynamic allostery in a PDZ domain. Proc Natl Acad Sci U S A (2009) 1.93

Measurement of slow (micros-ms) time scale dynamics in protein side chains by (15)N relaxation dispersion NMR spectroscopy: application to Asn and Gln residues in a cavity mutant of T4 lysozyme. J Am Chem Soc (2001) 1.91

Ligand binding alters the backbone mobility of intestinal fatty acid-binding protein as monitored by 15N NMR relaxation and 1H exchange. Biochemistry (1997) 1.72

Atomic-resolution dynamics on the surface of amyloid-β protofibrils probed by solution NMR. Nature (2011) 1.70

Using buried water molecules to explore the energy landscape of proteins. Nat Struct Biol (1996) 1.67

Reconstructing NMR spectra of "invisible" excited protein states using HSQC and HMQC experiments. J Am Chem Soc (2002) 1.66

Probing slow dynamics in high molecular weight proteins by methyl-TROSY NMR spectroscopy: application to a 723-residue enzyme. J Am Chem Soc (2004) 1.65

Atomic-level description of ubiquitin folding. Proc Natl Acad Sci U S A (2013) 1.65

Antiparallel EmrE exports drugs by exchanging between asymmetric structures. Nature (2011) 1.64

Probing chemical shifts of invisible states of proteins with relaxation dispersion NMR spectroscopy: how well can we do? J Am Chem Soc (2008) 1.64

Protein dynamics studied by rotating frame 15N spin relaxation times. J Biomol NMR (1993) 1.62

R1rho relaxation outside of the fast-exchange limit. J Magn Reson (2002) 1.55

Simultaneous quantification and identification of individual chemicals in metabolite mixtures by two-dimensional extrapolated time-zero (1)H-(13)C HSQC (HSQC(0)). J Am Chem Soc (2011) 1.53

Millisecond timescale fluctuations in dihydrofolate reductase are exquisitely sensitive to the bound ligands. Proc Natl Acad Sci U S A (2010) 1.53

Measurement of bond vector orientations in invisible excited states of proteins. Proc Natl Acad Sci U S A (2007) 1.52

Characterizing a partially folded intermediate of the villin headpiece domain under non-denaturing conditions: contribution of His41 to the pH-dependent stability of the N-terminal subdomain. J Mol Biol (2005) 1.47

NMR R1 rho rotating-frame relaxation with weak radio frequency fields. J Am Chem Soc (2004) 1.46

Disulfide bond isomerization in basic pancreatic trypsin inhibitor: multisite chemical exchange quantified by CPMG relaxation dispersion and chemical shift modeling. J Am Chem Soc (2003) 1.42

Probing slow time scale dynamics at methyl-containing side chains in proteins by relaxation dispersion NMR measurements: application to methionine residues in a cavity mutant of T4 lysozyme. J Am Chem Soc (2001) 1.40

Studying "invisible" excited protein states in slow exchange with a major state conformation. J Am Chem Soc (2012) 1.40

Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins. Structure (2010) 1.36

Mapping chemical exchange in proteins with MW > 50 kD. J Am Chem Soc (2003) 1.36

Allosteric inhibition through suppression of transient conformational states. Nat Chem Biol (2013) 1.33

Direct observation of the dynamic process underlying allosteric signal transmission. J Am Chem Soc (2009) 1.32

Solution NMR and computer simulation studies of active site loop motion in triosephosphate isomerase. Biochemistry (2006) 1.31

An improved 15N relaxation dispersion experiment for the measurement of millisecond time-scale dynamics in proteins. J Phys Chem B (2007) 1.28

Extending the range of amide proton relaxation dispersion experiments in proteins using a constant-time relaxation-compensated CPMG approach. J Biomol NMR (2003) 1.28

An NMR experiment for the accurate measurement of heteronuclear spin-lock relaxation rates. J Am Chem Soc (2002) 1.25

Effects of ion binding on the backbone dynamics of calbindin D9k determined by 15N NMR relaxation. Biochemistry (1993) 1.25

Measurement of ¹⁵N relaxation rates in perdeuterated proteins by TROSY-based methods. J Biomol NMR (2012) 1.24

Extensive backbone dynamics in the GCAA RNA tetraloop analyzed using 13C NMR spin relaxation and specific isotope labeling. J Am Chem Soc (2008) 1.24

Extending the range of microsecond-to-millisecond chemical exchange detected in labeled and unlabeled nucleic acids by selective carbon R(1rho) NMR spectroscopy. J Am Chem Soc (2009) 1.24

Dynamic properties of a type II cadherin adhesive domain: implications for the mechanism of strand-swapping of classical cadherins. Structure (2008) 1.24

Functional dynamics in the active site of the ribonuclease binase. Proc Natl Acad Sci U S A (2001) 1.23

Disulfide bond isomerization in BPTI and BPTI(G36S): an NMR study of correlated mobility in proteins. Biochemistry (1993) 1.22

Structure and dynamics of pin1 during catalysis by NMR. J Mol Biol (2007) 1.22

Microsecond timescale backbone conformational dynamics in ubiquitin studied with NMR R1rho relaxation experiments. Protein Sci (2005) 1.22

Active site dynamics in the lead-dependent ribozyme. Biochemistry (2000) 1.20

Solution NMR spin relaxation methods for characterizing chemical exchange in high-molecular-weight systems. Methods Enzymol (2005) 1.19

Estimating the time scale of chemical exchange of proteins from measurements of transverse relaxation rates in solution. J Biomol NMR (1999) 1.18

Aromatic ring-flipping in supercooled water: implications for NMR-based structural biology of proteins. J Am Chem Soc (2001) 1.16

Measurement of protein unfolding/refolding kinetics and structural characterization of hidden intermediates by NMR relaxation dispersion. Proc Natl Acad Sci U S A (2011) 1.15

TROSY-based z-exchange spectroscopy: application to the determination of the activation energy for intermolecular protein translocation between specific sites on different DNA molecules. J Am Chem Soc (2007) 1.13

An exchange-free measure of 15N transverse relaxation: an NMR spectroscopy application to the study of a folding intermediate with pervasive chemical exchange. J Am Chem Soc (2007) 1.11

Theoretical study of R(1rho) rotating-frame and R2 free-precession relaxation in the presence of n-site chemical exchange. J Magn Reson (2004) 1.11

CPMG sequences with enhanced sensitivity to chemical exchange. J Biomol NMR (2001) 1.11

Dynamics of lysine side-chain amino groups in a protein studied by heteronuclear 1H−15N NMR spectroscopy. J Am Chem Soc (2011) 1.11

R(1rho) relaxation for two-site chemical exchange: general approximations and some exact solutions. J Magn Reson (2005) 1.10

Probing transient Hoogsteen hydrogen bonds in canonical duplex DNA using NMR relaxation dispersion and single-atom substitution. J Am Chem Soc (2012) 1.10

Fast and accurate fitting of relaxation dispersion data using the flexible software package GLOVE. J Biomol NMR (2013) 1.09

Dynamics of ATP-binding cassette contribute to allosteric control, nucleotide binding and energy transduction in ABC transporters. J Mol Biol (2004) 1.08

Multiple-quantum relaxation dispersion NMR spectroscopy probing millisecond time-scale dynamics in proteins: theory and application. J Am Chem Soc (2004) 1.08

Kinetics of conformational sampling in ubiquitin. Angew Chem Int Ed Engl (2011) 1.07

Characterization of chemical exchange using residual dipolar coupling. J Am Chem Soc (2007) 1.07

Measurement of carbonyl chemical shifts of excited protein states by relaxation dispersion NMR spectroscopy: comparison between uniformly and selectively (13)C labeled samples. J Biomol NMR (2008) 1.06

A distal mutation perturbs dynamic amino acid networks in dihydrofolate reductase. Biochemistry (2013) 1.06

Singlet-state exchange NMR spectroscopy for the study of very slow dynamic processes. J Am Chem Soc (2007) 1.06

Probing structure in invisible protein states with anisotropic NMR chemical shifts. J Am Chem Soc (2008) 1.06

Double- and zero-quantum NMR relaxation dispersion experiments sampling millisecond time scale dynamics in proteins. J Am Chem Soc (2004) 1.04

Accuracy of optimized chemical-exchange parameters derived by fitting CPMG R2 dispersion profiles when R2(0a) not = R2(0b). J Biomol NMR (2006) 1.03

Automated NMR relaxation dispersion data analysis using NESSY. BMC Bioinformatics (2011) 1.02

Accurate measurement of alpha proton chemical shifts of excited protein states by relaxation dispersion NMR spectroscopy. J Am Chem Soc (2009) 1.01

NMR chemical exchange as a probe for ligand-binding kinetics in a theophylline-binding RNA aptamer. J Am Chem Soc (2009) 1.01

Measuring 13Cbeta chemical shifts of invisible excited states in proteins by relaxation dispersion NMR spectroscopy. J Biomol NMR (2009) 1.01

Off-resonance TROSY-selected R 1rho experiment with improved sensitivity for medium- and high-molecular-weight proteins. J Am Chem Soc (2006) 1.00

Phi-value analysis of a three-state protein folding pathway by NMR relaxation dispersion spectroscopy. Proc Natl Acad Sci U S A (2007) 1.00

Microsecond time-scale conformational exchange in proteins: using long molecular dynamics trajectory to simulate NMR relaxation dispersion data. J Am Chem Soc (2012) 1.00

Resolving the complex role of enzyme conformational dynamics in catalytic function. Proc Natl Acad Sci U S A (2012) 0.99

Synthesis of (6-(13)C)pyrimidine nucleotides as spin-labels for RNA dynamics. J Am Chem Soc (2012) 0.99

Probing slow protein dynamics by adiabatic R(1rho) and R(2rho) NMR experiments. J Am Chem Soc (2010) 0.99

Carbonyl carbon transverse relaxation dispersion measurements and ms-micros timescale motion in a protein hydrogen bond network. J Biomol NMR (2004) 0.98

13CHD2 methyl group probes of millisecond time scale exchange in proteins by 1H relaxation dispersion: an application to proteasome gating residue dynamics. J Am Chem Soc (2010) 0.97

Probing RNA dynamics via longitudinal exchange and CPMG relaxation dispersion NMR spectroscopy using a sensitive 13C-methyl label. Nucleic Acids Res (2011) 0.97

Differential multiple-quantum relaxation arising from cross-correlated time-modulation of isotropic chemical shifts. J Biomol NMR (2000) 0.96

TROSY-selected ZZ-exchange experiment for characterizing slow chemical exchange in large proteins. J Biomol NMR (2009) 0.95

Concerted dynamics link allosteric sites in the PBX homeodomain. J Mol Biol (2010) 0.95

Quantifying millisecond exchange dynamics in proteins by CPMG relaxation dispersion NMR using side-chain 1H probes. J Am Chem Soc (2012) 0.94

Evidence for slow motion in proteins by multiple refocusing of heteronuclear nitrogen/proton multiple quantum coherences in NMR. J Am Chem Soc (2004) 0.94

Time scales of slow motions in ubiquitin explored by heteronuclear double resonance. J Am Chem Soc (2012) 0.94

Probing microsecond time scale dynamics in proteins by methyl (1)H Carr-Purcell-Meiboom-Gill relaxation dispersion NMR measurements. Application to activation of the signaling protein NtrC(r). J Am Chem Soc (2010) 0.93

Partially folded equilibrium intermediate of the villin headpiece HP67 defined by 13C relaxation dispersion. J Biomol NMR (2009) 0.92

Titration and exchange studies of liver fatty acid-binding protein with 13C-labeled long-chain fatty acids. Biochemistry (2002) 0.92

Asparagine deamidation reduces DNA-binding affinity of the Drosophila melanogaster Scr homeodomain. FEBS Lett (2015) 0.75

General expressions for R1ρ relaxation for N-site chemical exchange and the special case of linear chains. J Magn Reson (2016) 0.75

Rotation operator propagators for time-varying radiofrequency pulses in NMR spectroscopy: applications to shaped pulses and pulse trains. J Magn Reson (2014) 0.75