Published in J Phys Chem B on January 10, 2013
Cytochrome-P450-cytochrome-b5 interaction in a membrane environment changes 15N chemical shift anisotropy tensors. J Phys Chem B (2013) 0.86
NMR structures of membrane proteins in phospholipid bilayers. Q Rev Biophys (2014) 0.82
Proton-detected 2D radio frequency driven recoupling solid-state NMR studies on micelle-associated cytochrome-b(5). J Magn Reson (2014) 0.80
Proton-detected 3D (15)N/(1)H/(1)H isotropic/anisotropic/isotropic chemical shift correlation solid-state NMR at 70kHz MAS. Solid State Nucl Magn Reson (2016) 0.75
Protein backbone angle restraints from searching a database for chemical shift and sequence homology. J Biomol NMR (1999) 26.99
TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts. J Biomol NMR (2009) 16.09
HADDOCK: a protein-protein docking approach based on biochemical or biophysical information. J Am Chem Soc (2003) 11.65
The chemical shift index: a fast and simple method for the assignment of protein secondary structure through NMR spectroscopy. Biochemistry (1992) 9.40
Automated NMR structure calculation with CYANA. Methods Mol Biol (2004) 9.31
Consistent blind protein structure generation from NMR chemical shift data. Proc Natl Acad Sci U S A (2008) 6.76
Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts. J Biomol NMR (2003) 4.39
HADDOCK versus HADDOCK: new features and performance of HADDOCK2.0 on the CAPRI targets. Proteins (2007) 3.97
Automated prediction of 15N, 13Calpha, 13Cbeta and 13C' chemical shifts in proteins using a density functional database. J Biomol NMR (2001) 3.26
Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology. J Biomol NMR (2007) 3.20
The many roles of cytochrome b5. Pharmacol Ther (2003) 2.69
Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach. Science (1993) 2.61
Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature (2011) 2.49
De novo protein structure generation from incomplete chemical shift assignments. J Biomol NMR (2008) 2.43
Structure and dynamics of membrane proteins by magic angle spinning solid-state NMR. Annu Rev Biophys (2009) 2.41
SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network. J Biomol NMR (2010) 2.39
Probing multiple effects on 15N, 13C alpha, 13C beta, and 13C' chemical shifts in peptides using density functional theory. Biopolymers (2002) 2.07
Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation. Proc Natl Acad Sci U S A (2009) 1.59
Calculations of NMR dipolar coupling strengths in model peptides. J Biomol NMR (1999) 1.44
Chemical-shift anisotropy measurements of amide and carbonyl resonances in a microcrystalline protein with slow magic-angle spinning NMR spectroscopy. J Am Chem Soc (2007) 1.39
Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins. Structure (2010) 1.36
Chemical shift anisotropy tensors of carbonyl, nitrogen, and amide proton nuclei in proteins through cross-correlated relaxation in NMR spectroscopy. J Am Chem Soc (2005) 1.36
The magic of bicelles lights up membrane protein structure. Chem Rev (2012) 1.33
Variability of the 15N chemical shielding tensors in the B3 domain of protein G from 15N relaxation measurements at several fields. Implications for backbone order parameters. J Am Chem Soc (2006) 1.30
Orientation of amide-nitrogen-15 chemical shift tensors in peptides: a quantum chemical study. J Am Chem Soc (2001) 1.25
Site-specific backbone amide (15)N chemical shift anisotropy tensors in a small protein from liquid crystal and cross-correlated relaxation measurements. J Am Chem Soc (2010) 1.19
Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteins. Prog Nucl Magn Reson Spectrosc (2010) 1.18
How Does an Amide-N Chemical Shift Tensor Vary in Peptides? J Phys Chem B (2004) 1.17
Determinations of 15N chemical shift anisotropy magnitudes in a uniformly 15N,13C-labeled microcrystalline protein by three-dimensional magic-angle spinning nuclear magnetic resonance spectroscopy. J Phys Chem B (2006) 1.16
The interaction of microsomal cytochrome P450 2B4 with its redox partners, cytochrome P450 reductase and cytochrome b(5). Arch Biochem Biophys (2010) 1.16
Ultrahigh resolution protein structures using NMR chemical shift tensors. Proc Natl Acad Sci U S A (2011) 1.15
Factors affecting the use of 13C(alpha) chemical shifts to determine, refine, and validate protein structures. Proteins (2008) 1.14
Determination of isoleucine side-chain conformations in ground and excited states of proteins from chemical shifts. J Am Chem Soc (2010) 1.11
Ab initio calculations of NMR chemical shifts. J Chem Phys (2008) 1.10
Interpreting protein structural dynamics from NMR chemical shifts. J Am Chem Soc (2012) 1.08
Limited variations in 15N CSA magnitudes and orientations in ubiquitin are revealed by joint analysis of longitudinal and transverse NMR relaxation. J Am Chem Soc (2005) 1.07
Two-dimensional chemical shift/heteronuclear dipolar coupling spectra obtained with polarization inversion spin exchange at the magic angle and magic-angle sample spinning (PISEMAMAS). Solid State Nucl Magn Reson (1995) 1.07
15N chemical shift anisotropy in protein structure refinement and comparison with NH residual dipolar couplings. J Magn Reson (2003) 1.06
De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds. Protein Sci (2010) 1.05
Solution structure of oxidized microsomal rabbit cytochrome b5. Factors determining the heterogeneous binding of the heme. Eur J Biochem (2000) 1.03
Toward the quantum chemical calculation of nuclear magnetic resonance chemical shifts of proteins. Proteins (2011) 1.02
Multidimensional solid state NMR of anisotropic interactions in peptides and proteins. J Chem Phys (2008) 1.01
Site-specific 13C chemical shift anisotropy measurements in a uniformly 15N,13C-labeled microcrystalline protein by 3D magic-angle spinning NMR spectroscopy. J Am Chem Soc (2005) 1.01
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination. Chem Soc Rev (2009) 1.00
Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 2. Level of Theory, Basis Set, and Solvents Model Dependence. J Chem Theory Comput (2012) 0.99
Chemical shift tensors of protonated base carbons in helical RNA and DNA from NMR relaxation and liquid crystal measurements. J Am Chem Soc (2006) 0.97
Protein NMR chemical shift calculations based on the automated fragmentation QM/MM approach. J Phys Chem B (2009) 0.95
Determination of Leu side-chain conformations in excited protein states by NMR relaxation dispersion. J Am Chem Soc (2010) 0.94
Quantum chemical studies of protein structure. Philos Trans R Soc Lond B Biol Sci (2005) 0.94
Measurement of 15N chemical shift anisotropy in a protein dissolved in a dilute liquid crystalline medium with the application of magic angle sample spinning. J Magn Reson (2003) 0.93
Determination of protein structures in the solid state from NMR chemical shifts. Structure (2008) 0.93
Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit solvation. Phys Chem Chem Phys (2012) 0.92
Determination of calpha chemical shift tensor orientation in peptides by dipolar-modulated chemical shift recoupling NMR spectroscopy. J Am Chem Soc (2002) 0.91
Density functional calculations of 15N chemical shifts in solvated dipeptides. J Biomol NMR (2008) 0.90
Calculation of chemical shift anisotropy in proteins. J Biomol NMR (2011) 0.90
Vibrational averaging of chemical shift anisotropies in model peptides. J Biomol NMR (2007) 0.88
Density functional calculations of chemical shielding of backbone 15N in helical residues of protein G. J Biomol NMR (2009) 0.86
Calculation of NMR chemical shifts in organic solids: accounting for motional effects. J Chem Phys (2009) 0.86
Density functional calculations of backbone 15N shielding tensors in beta-sheet and turn residues of protein G. J Biomol NMR (2011) 0.86
A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: mixed basis set and ONIOM methods combined with a complete basis set extrapolation. J Comput Chem (2006) 0.86
Experimental and theoretical investigation of the 13C and 15N chemical shift tensors in melanostatin-exploring the chemical shift tensor as a structural probe. J Am Chem Soc (2004) 0.85
Determination of the chemical shielding tensor orientation from two or one of the three conventional rotations of a single crystal. J Magn Reson (2002) 0.85
Folding of small proteins by Monte Carlo simulations with chemical shift restraints without the use of molecular fragment replacement or structural homology. J Phys Chem B (2009) 0.84
Modeling the (13)C chemical-shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects. Magn Reson Chem (2006) 0.84
Determination of 15N chemical shift anisotropy from a membrane-bound protein by NMR spectroscopy. J Phys Chem B (2012) 0.83
Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties. J Phys Chem A (2005) 0.83
Measurement of long-range cross-correlation rates using a combination of single- and multiple-quantum NMR spectroscopy in one experiment. J Am Chem Soc (2002) 0.80
Modeling NMR chemical shifts: a comparison of charge models for solid state effects on 15N chemical shift tensors. Solid State Nucl Magn Reson (1998) 0.80
Computational protocols for prediction of solute NMR relative chemical shifts. a case study of L-tryptophan in aqueous solution. J Comput Chem (2011) 0.77
Quantitative prediction of gas-phase (15)N and (31)P nuclear magnetic shielding constants. J Chem Phys (2010) 0.76
15N chemical shift changes in cytochrome b5: redox-dependent vs. guanidinium chloride-induced changes. J Biol Inorg Chem (2000) 0.76
Effects of Zero-Point and Thermal Vibrational Averaging on Computed NMR Properties of a Model Compound for Purine Nucleosides. J Chem Theory Comput (2006) 0.76
Ultrastrong and stiff layered polymer nanocomposites. Science (2007) 3.40
Studies on anticancer activities of antimicrobial peptides. Biochim Biophys Acta (2007) 3.24
LL-37, the only human member of the cathelicidin family of antimicrobial peptides. Biochim Biophys Acta (2006) 3.05
Membrane thinning due to antimicrobial peptide binding: an atomic force microscopy study of MSI-78 in lipid bilayers. Biophys J (2005) 1.81
NMR structure of the cathelicidin-derived human antimicrobial peptide LL-37 in dodecylphosphocholine micelles. Biochemistry (2008) 1.65
The human beta-defensin-3, an antibacterial peptide with multiple biological functions. Biochim Biophys Acta (2006) 1.62
Amyloid fiber formation and membrane disruption are separate processes localized in two distinct regions of IAPP, the type-2-diabetes-related peptide. J Am Chem Soc (2008) 1.56
Solid-state NMR reveals structural and dynamical properties of a membrane-anchored electron-carrier protein, cytochrome b5. J Am Chem Soc (2007) 1.53
A partially folded structure of amyloid-beta(1-40) in an aqueous environment. Biochem Biophys Res Commun (2011) 1.51
An innovative procedure using a sublimable solid to align lipid bilayers for solid-state NMR studies. Biophys J (2002) 1.50
Structures of rat and human islet amyloid polypeptide IAPP(1-19) in micelles by NMR spectroscopy. Biochemistry (2008) 1.47
The cytochromes P450 and b5 and their reductases--promising targets for structural studies by advanced solid-state NMR spectroscopy. Biochim Biophys Acta (2007) 1.47
Membrane disruption and early events in the aggregation of the diabetes related peptide IAPP from a molecular perspective. Acc Chem Res (2011) 1.46
Misfolded proteins in Alzheimer's disease and type II diabetes. Chem Soc Rev (2011) 1.45
Structure and orientation of pardaxin determined by NMR experiments in model membranes. J Biol Chem (2004) 1.38
Design of small molecules that target metal-A{beta} species and regulate metal-induced A{beta} aggregation and neurotoxicity. Proc Natl Acad Sci U S A (2010) 1.37
Membrane fragmentation by an amyloidogenic fragment of human Islet Amyloid Polypeptide detected by solid-state NMR spectroscopy of membrane nanotubes. Biochim Biophys Acta (2007) 1.34
The magic of bicelles lights up membrane protein structure. Chem Rev (2012) 1.33
Structure, membrane orientation, mechanism, and function of pexiganan--a highly potent antimicrobial peptide designed from magainin. Biochim Biophys Acta (2008) 1.31
Two-step mechanism of membrane disruption by Aβ through membrane fragmentation and pore formation. Biophys J (2012) 1.31
Small molecule modulators of copper-induced Abeta aggregation. J Am Chem Soc (2009) 1.30
Association of highly compact type II diabetes related islet amyloid polypeptide intermediate species at physiological temperature revealed by diffusion NMR spectroscopy. J Am Chem Soc (2009) 1.29
Heteronuclear isotropic mixing separated local field NMR spectroscopy. J Chem Phys (2006) 1.27
A single mutation in the nonamyloidogenic region of islet amyloid polypeptide greatly reduces toxicity. Biochemistry (2008) 1.27
Time-resolved dehydration-induced structural changes in an intact bovine cortical bone revealed by solid-state NMR spectroscopy. J Am Chem Soc (2009) 1.26
Three-dimensional structure and orientation of rat islet amyloid polypeptide protein in a membrane environment by solution NMR spectroscopy. J Am Chem Soc (2009) 1.26
Induction of negative curvature as a mechanism of cell toxicity by amyloidogenic peptides: the case of islet amyloid polypeptide. J Am Chem Soc (2009) 1.25
Structures of the dimeric and monomeric variants of magainin antimicrobial peptides (MSI-78 and MSI-594) in micelles and bilayers, determined by NMR spectroscopy. Biochemistry (2006) 1.24
Probing the "charge cluster mechanism" in amphipathic helical cationic antimicrobial peptides. Biochemistry (2010) 1.24
Determining the effects of lipophilic drugs on membrane structure by solid-state NMR spectroscopy: the case of the antioxidant curcumin. J Am Chem Soc (2009) 1.24
Structure and membrane orientation of IAPP in its natively amidated form at physiological pH in a membrane environment. Biochim Biophys Acta (2011) 1.20
Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteins. Prog Nucl Magn Reson Spectrosc (2010) 1.18
Conformational preferences of the amylin nucleation site in SDS micelles: an NMR study. Biopolymers (2003) 1.17
The spectrum of antimicrobial activity of the bacteriocin subtilosin A. J Antimicrob Chemother (2007) 1.17
Bicelle-enabled structural studies on a membrane-associated cytochrome B5 by solid-state MAS NMR spectroscopy. Angew Chem Int Ed Engl (2008) 1.17
Site specific interaction of the polyphenol EGCG with the SEVI amyloid precursor peptide PAP(248-286). J Phys Chem B (2012) 1.14
Synthetic and natural polycationic polymer nanoparticles interact selectively with fluid-phase domains of DMPC lipid bilayers. Langmuir (2005) 1.13
A model of the membrane-bound cytochrome b5-cytochrome P450 complex from NMR and mutagenesis data. J Biol Chem (2013) 1.12
Insights into antiamyloidogenic properties of the green tea extract (-)-epigallocatechin-3-gallate toward metal-associated amyloid-β species. Proc Natl Acad Sci U S A (2013) 1.12
Role of zinc in human islet amyloid polypeptide aggregation. J Am Chem Soc (2010) 1.11
A high-resolution solid-state NMR approach for the structural studies of bicelles. J Am Chem Soc (2006) 1.11
Alternative pathways of human islet amyloid polypeptide aggregation distinguished by (19)f nuclear magnetic resonance-detected kinetics of monomer consumption. Biochemistry (2012) 1.11
Two-dimensional homonuclear chemical shift correlation established by the cross-relaxation driven spin diffusion in solids. J Chem Phys (2008) 1.10
Rational design of a structural framework with potential use to develop chemical reagents that target and modulate multiple facets of Alzheimer's disease. J Am Chem Soc (2013) 1.07
High-resolution 2D NMR spectroscopy of bicelles to measure the membrane interaction of ligands. J Am Chem Soc (2007) 1.07
Delineating metabolic signatures of head and neck squamous cell carcinoma: phospholipase A2, a potential therapeutic target. Int J Biochem Cell Biol (2012) 1.07
Antimicrobial activity and membrane selective interactions of a synthetic lipopeptide MSI-843. Biochim Biophys Acta (2005) 1.07
NMR structure in a membrane environment reveals putative amyloidogenic regions of the SEVI precursor peptide PAP(248-286). J Am Chem Soc (2009) 1.06
Antimicrobial and membrane disrupting activities of a peptide derived from the human cathelicidin antimicrobial peptide LL37. Biophys J (2010) 1.06
Inhibition of amyloid peptide fibrillation by inorganic nanoparticles: functional similarities with proteins. Angew Chem Int Ed Engl (2011) 1.06
NMR structure of pardaxin, a pore-forming antimicrobial peptide, in lipopolysaccharide micelles: mechanism of outer membrane permeabilization. J Biol Chem (2009) 1.05
Helical hairpin structure of a potent antimicrobial peptide MSI-594 in lipopolysaccharide micelles by NMR spectroscopy. Chemistry (2009) 1.04
Probing the spontaneous membrane insertion of a tail-anchored membrane protein by sum frequency generation spectroscopy. J Am Chem Soc (2010) 1.03
Proton-evolved local-field solid-state NMR studies of cytochrome b5 embedded in bicelles, revealing both structural and dynamical information. J Am Chem Soc (2010) 1.03
Membrane permeabilization, orientation, and antimicrobial mechanism of subtilosin A. Chem Phys Lipids (2005) 1.03
Magic angle spinning NMR-based metabolic profiling of head and neck squamous cell carcinoma tissues. J Proteome Res (2011) 1.02
Natural-abundance 43Ca solid-state NMR spectroscopy of bone. J Am Chem Soc (2010) 1.02
Solid-state NMR and molecular dynamics simulations reveal the oligomeric ion-channels of TM2-GABA(A) stabilized by intermolecular hydrogen bonding. Biochim Biophys Acta (2008) 1.02
Sensitivity and resolution enhancement in solid-state NMR spectroscopy of bicelles. J Magn Reson (2006) 1.02
Use of a copper-chelated lipid speeds up NMR measurements from membrane proteins. J Am Chem Soc (2010) 1.01
Using fluorous amino acids to probe the effects of changing hydrophobicity on the physical and biological properties of the beta-hairpin antimicrobial peptide protegrin-1. Biochemistry (2008) 1.01
Helical conformation of the SEVI precursor peptide PAP248-286, a dramatic enhancer of HIV infectivity, promotes lipid aggregation and fusion. Biophys J (2009) 1.00
Resolution of oligomeric species during the aggregation of Aβ1-40 using (19)F NMR. Biochemistry (2013) 0.99
Multifunctional host defense peptides: functional and mechanistic insights from NMR structures of potent antimicrobial peptides. FEBS J (2009) 0.99
Comprehensive analysis of lipid dynamics variation with lipid composition and hydration of bicelles using nuclear magnetic resonance (NMR) spectroscopy. Langmuir (2009) 0.98
Using fluorous amino acids to modulate the biological activity of an antimicrobial peptide. Chembiochem (2008) 0.98
Differences between amyloid-β aggregation in solution and on the membrane: insights into elucidation of the mechanistic details of Alzheimer's disease. Chem Soc Rev (2014) 0.98
Structure, interactions, and antibacterial activities of MSI-594 derived mutant peptide MSI-594F5A in lipopolysaccharide micelles: role of the helical hairpin conformation in outer-membrane permeabilization. J Am Chem Soc (2010) 0.98
Biphasic effects of insulin on islet amyloid polypeptide membrane disruption. Biophys J (2011) 0.97
Amphipathic helical cationic antimicrobial peptides promote rapid formation of crystalline states in the presence of phosphatidylglycerol: lipid clustering in anionic membranes. Biophys J (2010) 0.96
Development of bifunctional stilbene derivatives for targeting and modulating metal-amyloid-β species. Inorg Chem (2011) 0.95
INEPT-based separated-local-field NMR spectroscopy: a unique approach to elucidate side-chain dynamics of membrane-associated proteins. J Am Chem Soc (2010) 0.95
NMR characterization of monomeric and oligomeric conformations of human calcitonin and its interaction with EGCG. J Mol Biol (2011) 0.95
The amyloidogenic SEVI precursor, PAP248-286, is highly unfolded in solution despite an underlying helical tendency. Biochim Biophys Acta (2011) 0.95
Solution structure and interaction of the antimicrobial polyphemusins with lipid membranes. Biochemistry (2005) 0.95
Phosphatidylethanolamine enhances amyloid fiber-dependent membrane fragmentation. Biochemistry (2012) 0.95
Effects of antidepressants on the conformation of phospholipid headgroups studied by solid-state NMR. Magn Reson Chem (2004) 0.94
Membrane orientation of MSI-78 measured by sum frequency generation vibrational spectroscopy. Langmuir (2011) 0.94
Probing the transmembrane structure and topology of microsomal cytochrome-p450 by solid-state NMR on temperature-resistant bicelles. Sci Rep (2013) 0.93
Bacterial curli protein promotes the conversion of PAP248-286 into the amyloid SEVI: cross-seeding of dissimilar amyloid sequences. PeerJ (2013) 0.93
Cations as switches of amyloid-mediated membrane disruption mechanisms: calcium and IAPP. Biophys J (2013) 0.93
Dynamic interaction between membrane-bound full-length cytochrome P450 and cytochrome b5 observed by solid-state NMR spectroscopy. Sci Rep (2013) 0.92
When detergent meets bilayer: birth and coming of age of lipid bicelles. Prog Nucl Magn Reson Spectrosc (2013) 0.92
Limiting an antimicrobial peptide to the lipid-water interface enhances its bacterial membrane selectivity: a case study of MSI-367. Biochemistry (2010) 0.91
High-resolution structural insights into bone: a solid-state NMR relaxation study utilizing paramagnetic doping. J Phys Chem B (2012) 0.91
Metabolomic signatures in guinea pigs infected with epidemic-associated W-Beijing strains of Mycobacterium tuberculosis. J Proteome Res (2012) 0.91
Pseudonegative thermal expansion and the state of water in graphene oxide layered assemblies. ACS Nano (2012) 0.91
A two-site mechanism for the inhibition of IAPP amyloidogenesis by zinc. J Mol Biol (2011) 0.91
Does cholesterol play a role in the bacterial selectivity of antimicrobial peptides? Front Immunol (2012) 0.91
Solid-state NMR spectroscopy of aligned lipid bilayers at low temperatures. J Am Chem Soc (2004) 0.89
Role of cationic group structure in membrane binding and disruption by amphiphilic copolymers. J Phys Chem B (2010) 0.89
Fluorine--a new element in the design of membrane-active peptides. Mol Biosyst (2009) 0.89
Lipid composition-dependent membrane fragmentation and pore-forming mechanisms of membrane disruption by pexiganan (MSI-78). Biochemistry (2013) 0.88
Does cholesterol suppress the antimicrobial peptide induced disruption of lipid raft containing membranes? Biochim Biophys Acta (2012) 0.88
Crystallinity and compositional changes in carbonated apatites: Evidence from (31)P solid-state NMR, Raman, and AFM analysis. J Solid State Chem (2013) 0.87
Efficient cross-polarization using a composite 0 degrees pulse for NMR studies on static solids. J Magn Reson (2008) 0.86
High-resolution characterization of liquid-crystalline [60]fullerenes using solid-state nuclear magnetic resonance spectroscopy. J Phys Chem B (2008) 0.86
HR-MAS NMR tissue metabolomic signatures cross-validated by mass spectrometry distinguish bladder cancer from benign disease. J Proteome Res (2013) 0.86
Cytochrome-P450-cytochrome-b5 interaction in a membrane environment changes 15N chemical shift anisotropy tensors. J Phys Chem B (2013) 0.86
Solid-state NMR spectroscopy provides atomic-level insights into the dehydration of cartilage. J Phys Chem B (2011) 0.85