Deformation rate controls elasticity and unfolding pathway of single tropocollagen molecules

Journal of the Mechanical Behavior of Biomedical Materials

Volumn 2, Issue 2, 2009, Pages 130-137

  Gautieri, Alfonso ^a,b   Buehler, Markus J ^b   Redaelli, Alberto ^a  

^a POLITECNICO DI MILANO   (Italy)

^b Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

Collagen; Elasticity; Fracture; Nanomechanics; Protein material; Steered Molecular Dynamics simulations; Tropocollagen; Young's modulus

Indexed keywords

COLLAGEN MATRICES; COLLAGEN PEPTIDES; DEFORMATION RATES; ELASTIC PROPERTIES; EXPLICIT SOLVENTS; LOADING RATES; MOLECULAR DEFORMATIONS; PROTEIN MATERIAL; PULLING RATES; STEERED MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL PROTEINS; TANGENT MODULUS; TRIPLE HELIXES; TROPOCOLLAGEN; YOUNG'S MODULUS;

AMINES; BIOMECHANICS; COLLAGEN; DEFORMATION; ELASTIC MODULI; ELASTICITY; FRACTURE; HISTOLOGY; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; MOLECULES; NANOMECHANICS; STRAIN; TENDONS; TENSILE STRAIN;

DYNAMICS;

COLLAGEN; TROPOCOLLAGEN;

AMINO ACID SEQUENCE; ARTICLE; BIOMECHANICS; BONE DEFORMATION; ELASTICITY; FORCE; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; SIMULATION; TENSILE STRENGTH; YOUNG MODULUS;

BIOMECHANICS; ELASTIC MODULUS; ELASTICITY; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN DENATURATION; PROTEIN FOLDING; TENSILE STRENGTH; TROPOCOLLAGEN;

EID: 59449108658     PISSN: 17516161     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmbbm.2008.03.001     Document Type: Article

References (28)

1. Ackbarow T., Chen X., et al. Hierarchies, multiple energy barriers and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domains. Proceeding of the National Academy of Sciences of the United States of America 104 (2007) 16410-16415
2. Alberts B., Johnson A., et al. Molecular Biology of the Cell (2002), Taylor & Francis
3. Bella J., Eaton M., et al. Crystal-structure and molecular-structure of a collagen-like peptide at 1.9-Angstrom resolution. Science 266 5182 (1994) 75-81
4. Berendsen H.J.C., Vanderspoel D., et al. Gromacs - a message-passing parallel molecular-dynamics implementation. Computer Physics Communications 91 1-3 (1995) 43-56
5. Bozec L., and Horton M. Topography and mechanical properties of single molecules of type I collagen using atomic force microscopy. Biophysical Journal 88 6 (2005) 4223-4231
6. Buehler M.J. Atomistic and continuum modeling of mechanical properties of collagen: Elasticity, fracture and self-assembly. Journal of Materials Research 21 8 (2006) 1947-1961
7. Buehler M.J. Nature designs tough collagen: Explaining the nanostructure of collagen fibrils. Proceedings of National Academy of Sciences of the United States of America 103 33 (2006) 12285-12290
8. Buehler M.J. Nanomechanics of collagen fibrils under varying cross-link densities: Atomistic and continuum studies. Journal of the Mechanical Behavior of Biomedical Materials 1 1 (2008) 10.1016/j.jmbbm.2007.04.001
9. Buehler M.J., and Wong S.Y. Entropic elasticity controls nanomechanics of single tropocollagen molecules. Biophysical Journal 93 1 (2007) 37-43
10. Byers P.H. Collagens: Building blocks at the end of the development line. Clinical Genetics 58 4 (2000) 270-279
11. Byers P.H. Folding defects in fibrillar collagens. Philosophical Transactions of the Royal Society of London Series B-Biological Sciences 356 1406 (2001) 151-157
12. Cusack S., and Miller A. Determination of the elastic-constants of collagen by brillouin light-scattering. Journal Of Molecular Biology 135 1 (1979) 39-51
13. Grigera I.G.M.a.G.R.a.J.R. Collagen stability, hydration and native state. Journal of Molecular Graphics and Modelling 21 3 (2002) 209-213
14. Harley R., James D., et al. Phonons and elastic-moduli of collagen and muscle. Nature 267 5608 (1977) 285-287
15. Hofmann H., Voss T., Kuhn K., and Engel J. Localization of flexible sites in thread-like molecules from electron-micrographs - comparison of interstitial, basement-membrane and intima collagens. Journal Of Molecular Biology 172 3 (1984) 325-343
16. Jenkins C.L., and Raines R.T. Insights on the conformational stability of collagen. Natural Product Reports 19 1 (2002) 49-59
17. Leikina E., Mertts M., et al. Type I collagen is thermally unstable at body temperature. Proceedings of the National Academy of Sciences of the United States of America 99 3 (2002) 1314-1318
18. Lorenzo A.C., and Caffarena E.R. Elastic properties, Young's modulus determination and structural stability of the tropocollagen molecule: A computational study by steered molecular dynamics. Journal Of Biomechanics 38 7 (2005) 1527-1533
19. Mooney S.D., and Klein T.E. Structural models of osteogenesis imperfecta-associated variants in the COL1A1 gene. Molecular & Cellular Proteomics 1 11 (2002) 868-875
20. Park S., Klein T., et al. Folding and misfolding of the collagen triple helix: Markov analysis of molecular dynamics simulations. Biophysical Journal 93 12 (2007) 4108-4115
21. Persikov A., Ramshaw J., et al. Amino acid propensities for the collagen triple-helix. Biochemistry 39 48 (2000) 14960-14967
22. Rainey J., and Goh M. An interactive triple-helical collagen builder. Bioinformatics 20 15 (2004) 2458-2459
23. Rainey J., and Goh M. A statistically derived parameterization for the collagen triple-helix (vol. 11, pg 2748 2002). Protein Science 13 8 (2004) 2276-2276
24. Sasaki N., and Odajima S. Stress-strain curve and Young's modulus of a collagen molecule as determined by the X-ray diffraction technique. Journal of Biomechanics 29 5 (1996) 655-658
25. Sun Y.L., Luo Z.P., et al. Direct quantification of the flexibility of type I collagen monomer. Biochemical And Biophysical Research Communications 295 2 (2002) 382-386
26. Sun Y.L., Luo Z.P., et al. Stretching type II collagen with optical tweezers. Journal Of Biomechanics 37 11 (2004) 665-1669
27. Vandrunen R., Vanderspoel D., et al. Gromacs - a software package and a parallel computer for molecular-dynamics. Abstracts of Papers of the American Chemical Society 209 (1995) 49-COMP
28. Vesentini S., Fitie C.F.C., et al. Molecular assessment of the elastic properties of collagen-like homotrimer sequences. Biomechanics and Modeling in Mechanobiology 3 4 (2005) 224-234