Structural determination of spin label immobilization and orientation: A Monte Carlo minimization approach

Journal of Magnetic Resonance

Volumn 156, Issue 1, 2002, Pages 104-112

  Sale, Ken ^a   Fajer, Peter G ^a   Sár, Cecília ^b   Hideg, Kálmán ^b   Sharp, Kim A ^c  

^a FLORIDA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF PÉCS   (Hungary)

^c UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Electron paramagnetic resonance; Electron spin resonance; Monte Carlo; Spectroscopy; Spin labels

Indexed keywords

MYOSIN;

ANIMAL; ANISOTROPY; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CHICKEN; ELECTRON SPIN RESONANCE; METHODOLOGY; MONTE CARLO METHOD; PROTEIN CONFORMATION; SPIN LABELING;

ANIMALS; ANISOTROPY; CHICKENS; ELECTRON SPIN RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MONTE CARLO METHOD; MYOSINS; PROTEIN CONFORMATION; SPIN LABELS;

EID: 0035983171     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.2002.2529     Document Type: Article

References (30)

1. Determination of spin-label orientation within the myosin head
2. Crystal structure of a fluorescent derivative of RNase A
3. Crystal structures of spin labeled T4 lysozyme mutants: Implications for the interpretation of EPR spectra in terms of structure
4. Monte Carlo minimization approach to the multiple-minima problem in protein folding
5. Three-dimensional structure of myosin subfragment-1: A molecular motor
6. Structure of the actin-myosin complex and its implications for muscle contraction
7. Development and validation of force-field parameters for molecular simulations of peptides and proteins containing open-shell residues
8. Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases
9. On the multiple-minima problem in the conformational analysis of polypeptides. II. An electrostatically driven Monte Carlo method - Tests on poly(L-alanine)
10. An internal coordinate Monte Carlo method for searching conformational space
11. Equation of state calculations by fast computing machines
12. CHARMM: A program for macromolecular energy, minimization and dynamics calculations
13. Orientation of spin-labeled myosin heads in glycerinated muscle fibers
14. High resolution detection of muscle crossbridge orientation by electron paramagnetic resonance
15. General method for multiparameter fitting of high-resolution EPR spectra using a simplex algorithm
16. Synthesis and reactions of new alkynyl substituted nitroxide radicals
17. Effect of ADP on the orientation of spin-labeled myosin heads in muscle fibers: A high-resolution study with deuterated spin labels
18. A spin label that binds to myosin heads in muscle fibers with its principal axis parallel to the fiber axis
19. A novel electron paramagnetic resonance spin label and its application to study the cross-bridge cycle
20. Spin-labelled haemoglobins: A structural interpretation of electron paramagnetic resonance spectra based on X-ray analysis
21. 2.9 A resolution structure of an anti-dinitrophenyl-spin-label monoclonal antibody Fab fragment with bound hapten
22. Direct visualization by electron microscopy of the weakly bound intermediates in the actomyosin adenosine triphosphatase cycle
23. 2 synthase (Cyclooxygenase-2)
24. Comparison of electron paramagnetic resonance methods to determine distances between spin labels on human carbonic anhydrase II
25. Determination of fluorescent probe orientations on biomolecules by conformational searching: Algorithm testing and applications to the atomic model of myosin
26. Calculation of electron paramagnetic resonance spectra from Brownian dynamics trajectories: Application to nitroxide side chains in proteins
27. Molecular dynamics simulation and EPR spectroscopy of nitroxide side chains in bacteriorhodopsin
28. Molecular motion of spin labeled side chains in α-helices: Analysis by variation of side chain structure