相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。ESR Resolves the C Terminus Structure of the Ligand-free Human Glutathione S-Transferase A1-1
Matthew J. Lawless et al.
BIOPHYSICAL JOURNAL (2018)
Time-Resolved Protein Side-Chain Motions Unraveled by High-Resolution Relaxometry and Molecular Dynamics Simulations
Samuel F. Cousin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Deep neural network processing of DEER data
Steven G. Worswick et al.
SCIENCE ADVANCES (2018)
A combined EPR and MD simulation study of a nitroxyl spin label with restricted internal mobility sensitive to protein dynamics
Vasily S. Oganesyan et al.
JOURNAL OF MAGNETIC RESONANCE (2017)
Rational design of proteins that exchange on functional timescales
James A. Davey et al.
NATURE CHEMICAL BIOLOGY (2017)
Identifying conformational changes with site-directed spin labeling reveals that the GTPase domain of HydF is a molecular switch
Laura Galazzo et al.
SCIENTIFIC REPORTS (2017)
Natural Conformational Sampling of Human TNFα Visualized by Double Electron-Electron Resonance
Bruce Carrington et al.
BIOPHYSICAL JOURNAL (2017)
Conformational Mobility in Cytochrome P450 3A4 Explored by Pressure-Perturbation EPR Spectroscopy
Dmitri R. Davydov et al.
BIOPHYSICAL JOURNAL (2016)
Determination of nitroxide spin label conformations via dPELDOR and X-ray crystallography
D. Abdullin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Rotameric preferences of a protein spin label at edge-strand -sheet sites
Timothy F. Cunningham et al.
PROTEIN SCIENCE (2016)
(Dis)similarity Index To Compare Correlated Motions in Molecular Simulations
Matteo Tiberti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
James A. Maier et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Simulating the Distance Distribution between Spin-Labels Attached to Proteins
Shahidul M. Islam et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
The role of lipids in mechanosensation
Christos Pliotas et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2015)
The role of lipids in mechanosensation
Christos Pliotas et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2015)
CW-EPR studies revealed different motional properties and oligomeric states of the integrin β1a transmembrane domain in detergent micelles or liposomes
Lu Yu et al.
SCIENTIFIC REPORTS (2015)
Mapping Membrane Protein Backbone Dynamics: A Comparison of Site-Directed Spin Labeling with NMR 15N-Relaxation Measurements
Ryan H. Lo et al.
BIOPHYSICAL JOURNAL (2014)
High-resolution crystal structure of spin labelled (T21R1) azurin from Pseudomonas aeruginosa: a challenging structural benchmark for in silico spin labelling algorithms
Nicole Florin et al.
BMC STRUCTURAL BIOLOGY (2014)
Structural Insight into Proteorhodopsin Oligomers
Katherine M. Stone et al.
BIOPHYSICAL JOURNAL (2013)
Simulation of electron paramagnetic resonance spectra of spin-labeled molecules from replica-exchange molecular dynamics
S. Tyrrell et al.
PHYSICAL REVIEW E (2013)
Atomic-level description of ubiquitin folding
Stefano Piana et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
DEER Distance Measurements on Proteins
Gunnar Jeschke
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
High-Resolution Structure of a Protein Spin-Label in a Solvent-Exposed β-Sheet and Comparison with DEER Spectroscopy
Timothy F. Cunningham et al.
BIOCHEMISTRY (2012)
Mapping Molecular Flexibility of Proteins with Site-Directed Spin Labeling: A Case Study of Myoglobin
Carlos J. Lopez et al.
BIOCHEMISTRY (2012)
Rotational velocity rescaling of molecular dynamics trajectories for direct prediction of protein NMR relaxation
Janet S. Anderson et al.
BIOPHYSICAL CHEMISTRY (2012)
Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations
Stefano Piana et al.
PLOS ONE (2012)
Soluble oligomerization provides a beneficial fitness effect on destabilizing mutations
Shimon Bershtein et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Daniel M. Freed et al.
BIOCHEMISTRY (2011)
Conformational Analysis of a Nitroxide Side Chain in an α-Helix with Density Functional Theory
Dora Toledo Warshaviak et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Motion of a Disordered Polypeptide Chain as Studied by Paramagnetic Relaxation Enhancements, 15N Relaxation, and Molecular Dynamics Simulations: How Fast Is Segmental Diffusion in Denatured Ubiquitin?
Yi Xue et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Rotamer libraries of spin labelled cysteines for protein studies
Yevhen Polyhach et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Structure and dynamics of a conformationally constrained nitroxide side chain and applications in EPR spectroscopy
Mark R. Fleissner et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Characterization of the disordered-to-alpha-helical transition of IA(3) by SDSL-EPR spectroscopy
Natasha L. Pirman et al.
PROTEIN SCIENCE (2011)
How Fast-Folding Proteins Fold
Kresten Lindorff-Larsen et al.
SCIENCE (2011)
Rotational barriers in alkanes
Yirong Mo
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Resolving Conformational and Rotameric Exchange in Spin-Labeled Proteins Using Saturation Recovery EPR
Michael D. Bridges et al.
APPLIED MAGNETIC RESONANCE (2010)
Structural Origins of Nitroxide Side Chain Dynamics on Membrane Protein α-Helical Sites
Brett M. Kroncke et al.
BIOCHEMISTRY (2010)
Non-native hydrophobic interactions detected in unfolded apoflavodoxin by paramagnetic relaxation enhancement
Sanne M. Nabuurs et al.
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2010)
Extracting the Causality of Correlated Motions from Molecular Dynamics Simulations
Hiqmet Kamberaj et al.
BIOPHYSICAL JOURNAL (2009)
Alternating Access of the Putative Substrate-Binding Chamber in the ABC Transporter MsbA
Ping Zou et al.
JOURNAL OF MOLECULAR BIOLOGY (2009)
Deuterium Spin Probes of Backbone Order in Proteins: 2H NMR Relaxation Study of Deuterated Carbon α Sites
Devon Sheppard et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Multifrequency Electron Spin Resonance Spectra of a Spin-Labeled Protein Calculated from Molecular Dynamics Simulations
Deniz Sezer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Protein Side-Chain Dynamics and Residual Conformational Entropy
Nikola Trbovic et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Structural origin of weakly ordered nitroxide motion in spin-labeled proteins
Mark R. Fleissner et al.
PROTEIN SCIENCE (2009)
Paramagnetic relaxation enhancements in unfolded proteins: Theory and application to drkN SH3 domain
Yi Xue et al.
PROTEIN SCIENCE (2009)
Simulation of nitroxide electron paramagnetic resonance spectra from Brownian trajectories and molecular dynamics simulations
Susan C. DeSensi et al.
BIOPHYSICAL JOURNAL (2008)
Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories
Deniz Sezer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine α-helix
Deniz Sezer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments
Fangyu Ding et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Muscle and nonmuscle myosins probed by a spin label at equivalent sites in the force-generating domain
Roman V. Agafonov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme
Zhefeng Guo et al.
PROTEIN SCIENCE (2008)
Very fast prediction and rationalization of pKa values for protein-ligand complexes
Delphine C. Bas et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2008)
The point mutation A34F causes dimerization of GB1
JunGoo Jee et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2008)
Structural determinants of nitroxide motion in spin-labeled proteins:: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme
Zhefeng Guo et al.
PROTEIN SCIENCE (2007)
Validation of molecular dynamics simulations of biomolecules using NMR spin relaxation as benchmarks:: Application to the AMBER99SB force field
Scott A. Showalter et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Probing the opening of the pancreatic lipase lid using site-directed spin labeling and EPR spectroscopy
Valerie Belle et al.
BIOCHEMISTRY (2007)
Solid-State Protein-Structure Determination with Proton-Detected Triple-Resonance 3D Magic-Angle-Spinning NMR Spectroscopy
Donghua H. Zhou et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings
Guillaume Bouvignies et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Recent advances and applications of site-directed spin labeling
Gail E. Fanucci et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2006)
Molecular determinants of gating at the potassium-channel selectivity filter
JF Cordero-Morales et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2006)
Differential interaction of spin-labeled arrestin with inactive and active phosphorhodopsin
SM Hanson et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Calculating slow-motional electron paramagnetic resonance spectra from molecular dynamics using a diffusion operator approach
DE Budil et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings
G Bouvignies et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Force field impact and spin-probe modeling in molecular dynamics simulations of spin-labeled T4 lysozyme
I Stoica
JOURNAL OF MOLECULAR MODELING (2005)
Structural basis of energy transduction in the transport cycle of MsbA
JH Dong et al.
SCIENCE (2005)
The GB1 amyloid fibril:: Recruitment of the peripheral β-strands of the domain swapped dimer into the polymeric interface
JM Louis et al.
JOURNAL OF MOLECULAR BIOLOGY (2005)
Motion of spin label side chains in cellular retinol-binding protein:: Correlation with structure and nearest-neighbor interactions in an antiparallel β-sheet
MA Lietzow et al.
BIOCHEMISTRY (2004)
ESR reveals the mobility of the neck linker in dimeric kinesin
K Sugata et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2004)
Amplitudes of protein backbone dynamics and correlated motions in a small α/β protein:: Correspondence of dipolar coupling and heteronuclear relaxation measurements
GM Clore et al.
BIOCHEMISTRY (2004)
Structural origins of constitutive activation in rhodopsin: Role of the K296/E113 salt bridge
JM Kim et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Mapping backbone dynamics in solution with site-directed spin labeling: GCN4-58 bZip free and bound to DNA
L Columbus et al.
BIOCHEMISTRY (2004)
Ensemble approach for NMR structure refinement against 1H paramagnetic relaxation enhancement data arising from a flexible paramagnetic group attached to a macromolecule
J Iwahara et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Structural organization of α-synuclein fibrils studied by site-directed spin labeling
A Der-Sarkissian et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2003)
Core mutations switch monomeric protein GB1 into an intertwined tetramer
MK Frank et al.
NATURE STRUCTURAL BIOLOGY (2002)
A fast method for predicting amino acid mutations that lead to unfolding
JD Wright et al.
PROTEIN ENGINEERING (2001)
Molecular motion of spin labeled side chains in α-helices:: Analysis by variation of side chain structure
L Columbus et al.
BIOCHEMISTRY (2001)
A direct simulation of EPR slow-motion spectra of spin labelled phospholipids in liquid crystalline bilayers based on a molecular dynamics simulation of the lipid dynamics
P Hakansson et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)
HYDRONMR: Prediction of NMR relaxation of globular proteins from atomic-level structures and hydrodynamic calculations
JG de la Torre et al.
JOURNAL OF MAGNETIC RESONANCE (2000)
Crystal structures of spin labeled T4 lysozyme mutants: Implications for the interpretation of EPR spectra in terms of structure
R Langen et al.
BIOCHEMISTRY (2000)
The role of backbone conformational heat capacity in protein stability:: Temperature dependent dynamics of the B1 domain of Streptococcal protein G
MJ Seewald et al.
PROTEIN SCIENCE (2000)
分享论文
