Published in J Am Chem Soc on March 10, 2010
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles. J Chem Theory Comput (2012) 5.57
Balanced Protein-Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association. J Chem Theory Comput (2014) 1.47
Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field. J Chem Theory Comput (2015) 1.13
High-pressure NMR reveals close similarity between cold and alcohol protein denaturation in ubiquitin. Proc Natl Acad Sci U S A (2013) 0.92
Side-chain conformational heterogeneity of intermediates in the Escherichia coli dihydrofolate reductase catalytic cycle. Biochemistry (2013) 0.83
Transforming between discrete and continuous angle distribution models: application to protein χ₁ torsions. J Biomol NMR (2012) 0.81
(Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parameters. J Comput Chem (2012) 0.77
The interplay between transient α-helix formation and side chain rotamer distributions in disordered proteins probed by methyl chemical shifts. Protein Sci (2011) 0.77
Comprehensive structural and dynamical view of an unfolded protein from the combination of single-molecule FRET, NMR, and SAXS. Proc Natl Acad Sci U S A (2016) 0.77
Data describing the solution structure of the WW3* domain from human Nedd4-1. Data Brief (2016) 0.75
Conformational Populations of β-(1→4) O-Glycosidic Linkages Using Redundant NMR J-Couplings and Circular Statistics. J Phys Chem B (2017) 0.75
VirtualSpectrum, a tool for simulating peak list for multi-dimensional NMR spectra. J Biomol NMR (2014) 0.75
Structural characterization of flexible proteins using small-angle X-ray scattering. J Am Chem Soc (2007) 6.53
Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature (2010) 3.39
DgrA is a member of a new family of cyclic diguanosine monophosphate receptors and controls flagellar motor function in Caulobacter crescentus. Proc Natl Acad Sci U S A (2007) 2.42
Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings. Proc Natl Acad Sci U S A (2005) 2.35
A structural model for unfolded proteins from residual dipolar couplings and small-angle x-ray scattering. Proc Natl Acad Sci U S A (2005) 2.28
Structure of tumor suppressor p53 and its intrinsically disordered N-terminal transactivation domain. Proc Natl Acad Sci U S A (2008) 2.14
Solution conformations and dynamics of ABL kinase-inhibitor complexes determined by NMR substantiate the different binding modes of imatinib/nilotinib and dasatinib. J Biol Chem (2008) 2.09
Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy. J Am Chem Soc (2007) 2.04
Continuous molecular evolution of protein-domain structures by single amino acid changes. Curr Biol (2007) 1.81
Defining long-range order and local disorder in native alpha-synuclein using residual dipolar couplings. J Am Chem Soc (2005) 1.75
Proteolytic E-cadherin activation followed by solution NMR and X-ray crystallography. EMBO J (2004) 1.69
Toward a unified representation of protein structural dynamics in solution. J Am Chem Soc (2009) 1.55
The solution structure of the FATC domain of the protein kinase target of rapamycin suggests a role for redox-dependent structural and cellular stability. J Biol Chem (2005) 1.49
Highly populated turn conformations in natively unfolded tau protein identified from residual dipolar couplings and molecular simulation. J Am Chem Soc (2007) 1.49
A thermodynamic switch modulates abscisic acid receptor sensitivity. EMBO J (2011) 1.44
NMR characterization of long-range order in intrinsically disordered proteins. J Am Chem Soc (2010) 1.43
Calcium-dependent homoassociation of E-cadherin by NMR spectroscopy: changes in mobility, conformation and mapping of contact regions. J Mol Biol (2002) 1.40
Protein conformational flexibility from structure-free analysis of NMR dipolar couplings: quantitative and absolute determination of backbone motion in ubiquitin. Angew Chem Int Ed Engl (2009) 1.38
Recognition of RANTES by extracellular parts of the CCR5 receptor. J Mol Biol (2006) 1.35
Quantitative determination of the conformational properties of partially folded and intrinsically disordered proteins using NMR dipolar couplings. Structure (2009) 1.33
Oligomer formation of the bacterial second messenger c-di-GMP: reaction rates and equilibrium constants indicate a monomeric state at physiological concentrations. J Am Chem Soc (2011) 1.28
Intrinsic disorder in measles virus nucleocapsids. Proc Natl Acad Sci U S A (2011) 1.27
Quantitative description of backbone conformational sampling of unfolded proteins at amino acid resolution from NMR residual dipolar couplings. J Am Chem Soc (2009) 1.24
Flexible-meccano: a tool for the generation of explicit ensemble descriptions of intrinsically disordered proteins and their associated experimental observables. Bioinformatics (2012) 1.22
Describing intrinsically disordered proteins at atomic resolution by NMR. Curr Opin Struct Biol (2013) 1.22
Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings. J Am Chem Soc (2006) 1.22
Domain conformation of tau protein studied by solution small-angle X-ray scattering. Biochemistry (2008) 1.20
Structure of the vesicular stomatitis virus N⁰-P complex. PLoS Pathog (2011) 1.20
Mapping the potential energy landscape of intrinsically disordered proteins at amino acid resolution. J Am Chem Soc (2012) 1.19
Temperature-dependence of protein hydrogen bond properties as studied by high-resolution NMR. J Mol Biol (2002) 1.19
Very fast folding and association of a trimerization domain from bacteriophage T4 fibritin. J Mol Biol (2004) 1.18
Enhanced conformational space sampling improves the prediction of chemical shifts in proteins. J Am Chem Soc (2010) 1.18
Structural characterization of alpha-synuclein in an aggregation prone state. Protein Sci (2009) 1.18
Structural biology: Proteins in dynamic equilibrium. Nature (2010) 1.16
Defining conformational ensembles of intrinsically disordered and partially folded proteins directly from chemical shifts. J Am Chem Soc (2010) 1.15
Quantitative conformational analysis of partially folded proteins from residual dipolar couplings: application to the molecular recognition element of Sendai virus nucleoprotein. J Am Chem Soc (2008) 1.15
The solution structure and DNA-binding properties of the cold-shock domain of the human Y-box protein YB-1. J Mol Biol (2002) 1.14
Anisotropic small amplitude Peptide plane dynamics in proteins from residual dipolar couplings. J Am Chem Soc (2004) 1.14
pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins. Nucleic Acids Res (2013) 1.13
Conformational changes specific for pseudophosphorylation at serine 262 selectively impair binding of tau to microtubules. Biochemistry (2009) 1.12
Solution structure of the PilZ domain protein PA4608 complex with cyclic di-GMP identifies charge clustering as molecular readout. J Biol Chem (2011) 1.11
Solution structure of the C-terminal X domain of the measles virus phosphoprotein and interaction with the intrinsically disordered C-terminal domain of the nucleoprotein. J Mol Recognit (2010) 1.10
Solution structure of the C-terminal nucleoprotein-RNA binding domain of the vesicular stomatitis virus phosphoprotein. J Mol Biol (2008) 1.10
Site-specific measurement of slow motions in proteins. J Am Chem Soc (2011) 1.10
In support of the BMRB. Nat Struct Mol Biol (2012) 1.09
Structure of the Cyclin T binding domain of Hexim1 and molecular basis for its recognition of P-TEFb. Proc Natl Acad Sci U S A (2007) 1.09
Exploring free-energy landscapes of intrinsically disordered proteins at atomic resolution using NMR spectroscopy. Chem Rev (2014) 1.08
Minicollagen-15, a novel minicollagen isolated from Hydra, forms tubule structures in nematocysts. J Mol Biol (2007) 1.08
Key stabilizing elements of protein structure identified through pressure and temperature perturbation of its hydrogen bond network. Nat Chem (2012) 1.07
Conformational distributions of unfolded polypeptides from novel NMR techniques. J Chem Phys (2008) 1.06
Structure and dynamics of the nucleocapsid-binding domain of the Sendai virus phosphoprotein in solution. Virology (2004) 1.06
Direct observation of Calpha-Halpha...O=C hydrogen bonds in proteins by interresidue h3JCalphaC' scalar couplings. J Am Chem Soc (2003) 1.04
NMR reveals the allosteric opening and closing of Abelson tyrosine kinase by ATP-site and myristoyl pocket inhibitors. Proc Natl Acad Sci U S A (2013) 1.03
Ensemble calculations of unstructured proteins constrained by RDC and PRE data: a case study of urea-denatured ubiquitin. J Am Chem Soc (2010) 1.03
Intrinsically disordered proteins: from sequence and conformational properties toward drug discovery. Chembiochem (2012) 1.03
Testing the validity of ensemble descriptions of intrinsically disordered proteins. Proc Natl Acad Sci U S A (2014) 1.02
DOTA-M8: An extremely rigid, high-affinity lanthanide chelating tag for PCS NMR spectroscopy. J Am Chem Soc (2009) 1.02
Simultaneous definition of high resolution protein structure and backbone conformational dynamics using NMR residual dipolar couplings. Chemphyschem (2007) 1.02
ProtSA: a web application for calculating sequence specific protein solvent accessibilities in the unfolded ensemble. BMC Bioinformatics (2009) 1.01
Sequence-specific solvent accessibilities of protein residues in unfolded protein ensembles. Biophys J (2006) 1.00
Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr. J Mol Biol (2002) 0.99
Structural analysis of B-Box 2 from MuRF1: identification of a novel self-association pattern in a RING-like fold. Biochemistry (2008) 0.99
Structural dynamics of protein backbone phi angles: extended molecular dynamics simulations versus experimental (3) J scalar couplings. J Biomol NMR (2009) 0.98
Towards a robust description of intrinsic protein disorder using nuclear magnetic resonance spectroscopy. Mol Biosyst (2011) 0.98
Anisotropic collective motion contributes to nuclear spin relaxation in crystalline proteins. J Am Chem Soc (2010) 0.98
Direct detection of N-H[...]N hydrogen bonds in biomolecules by NMR spectroscopy. Nat Protoc (2008) 0.97
Visualizing the molecular recognition trajectory of an intrinsically disordered protein using multinuclear relaxation dispersion NMR. J Am Chem Soc (2015) 0.97
Direct observation of dipolar couplings and hydrogen bonds across a beta-hairpin in 8 M urea. J Am Chem Soc (2007) 0.96
Nuclear magnetic resonance provides a quantitative description of protein conformational flexibility on physiologically important time scales. Biochemistry (2011) 0.96
Site-specific backbone dynamics from a crystalline protein by solid-state NMR spectroscopy. J Am Chem Soc (2004) 0.95
Relaxation-based structure refinement and backbone molecular dynamics of the dynein motor domain-associated light chain. Biochemistry (2003) 0.94
Amino acid bulkiness defines the local conformations and dynamics of natively unfolded alpha-synuclein and tau. J Am Chem Soc (2007) 0.94
Structural impact of proline-directed pseudophosphorylation at AT8, AT100, and PHF1 epitopes on 441-residue tau. J Am Chem Soc (2011) 0.94
Observation of heteronuclear overhauser effects confirms the 15N-1H dipolar relaxation mechanism in a crystalline protein. J Am Chem Soc (2006) 0.93
The N(0)-binding region of the vesicular stomatitis virus phosphoprotein is globally disordered but contains transient α-helices. Protein Sci (2011) 0.93
Local dynamic amplitudes on the protein backbone from dipolar couplings: toward the elucidation of slower motions in biomolecules. J Am Chem Soc (2004) 0.93
Quantitative analysis of backbone dynamics in a crystalline protein from nitrogen-15 spin-lattice relaxation. J Am Chem Soc (2005) 0.93
Conformational propensities of intrinsically disordered proteins from NMR chemical shifts. Chemphyschem (2013) 0.92
High-pressure NMR reveals close similarity between cold and alcohol protein denaturation in ubiquitin. Proc Natl Acad Sci U S A (2013) 0.92
Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex. Nucleic Acids Res (2009) 0.92
Transient electrostatic interactions dominate the conformational equilibrium sampled by multidomain splicing factor U2AF65: a combined NMR and SAXS study. J Am Chem Soc (2014) 0.92
Structure of the tetramerization domain of measles virus phosphoprotein. J Virol (2013) 0.92
Structural characterization of the 69 nucleotide potato spindle tuber viroid left-terminal domain by NMR and thermodynamic analysis. J Mol Biol (2003) 0.91
Charged acrylamide copolymer gels as media for weak alignment. J Biomol NMR (2002) 0.91
Band-selective 1H-13C cross-polarization in fast magic angle spinning solid-state NMR spectroscopy. J Am Chem Soc (2008) 0.91
Measurement of site-specific 13C spin-lattice relaxation in a crystalline protein. J Am Chem Soc (2010) 0.91
Characterization of the cation and temperature dependence of DNA quadruplex hydrogen bond properties using high-resolution NMR. J Am Chem Soc (2005) 0.90
Quantitative comparison of the hydrogen bond network of A-state and native ubiquitin by hydrogen bond scalar couplings. Biochemistry (2004) 0.90
Large-scale expression and purification of the major HIV-1 coreceptor CCR5 and characterization of its interaction with RANTES. Protein Expr Purif (2008) 0.90
Backbone NMR resonance assignment of the Abelson kinase domain in complex with imatinib. Biomol NMR Assign (2008) 0.89
A self-consistent description of the conformational behavior of chemically denatured proteins from NMR and small angle scattering. Biophys J (2009) 0.89
Mapping the population of protein conformational energy sub-states from NMR dipolar couplings. Angew Chem Int Ed Engl (2013) 0.89