Bias-free separation of internal and overall motion of biomolecules

Proteins: Structure, Function and Genetics

Volumn 45, Issue 3, 2001, Pages 207-218

  Schieborr, Ulrich ^a   Rterjans, Heinz ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

Collective coordinates motion; Conformational fluctuations; Covariance; Distance space; Essential dynamics; Molecular dynamics; Normal modes; Principal component analysis

Indexed keywords

RIBONUCLEASE T1;

ALGORITHM; ARTICLE; COVARIANCE; MACROMOLECULE; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN CONFORMATION;

ALGORITHMS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR MOTOR PROTEINS; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 0035889593     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.1141     Document Type: Article

References (23)

1. Functional significance of flexibility in proteins
2. Fluctuation and cross-correlation analysis of protein motions observed in nanosecond molecular dynamics simulations
3. Collective protein dynamics in relation to function
4. Investigating protein dynamics in collective coordinate space
5. Conformational changes in the chaperonin groel: New insights into the allosteric mechanism
6. A dynamic model for the allosteric mechanism of groel
7. Enzyme specificity under dynamic control: A normal mode analysis of alpha-lytic protease
8. Are there non-trivial dynamic cross-correlations in proteins?
9. Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity
10. Anisotropic molecular rotational diffusion in 15n spin relaxation studies of protein mobility
11. Packing in a new crystalline form of glutamine synthetase from Escherichia coli
12. Gene duplications in the structural evolution of chymotrypsin
13. Collective motions in proteins: A covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations
14. Essential dynamics of proteins
15. The hinge-bending mode in lysozyme
16. Comment on a "fluctuation and cross correlation analysis of protein motions observed in nanosecond molecular dynamics simulations."
17. A comparision of techniques for calculating protein essential dynamics
18. An efficient method for sampling the essential subspace of proteins
19. Toward an exhaustive sampling of the configurational spaces of the two forms of the peptide hormone guanylin
20. Efficient sampling in collective coordinate space
21. Absolute entropies from molecular dynamics simulation trajectories
22. Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior