Collagen의 수화에 대한 이론적 연구

Theoretical Study of the Hydration of Collagen

  • Lee Jong Myung (Department of Chemical Science, Korea Advanced Institute of Science) ;
  • Jhon Mu Shik (Department of Chemical Science, Korea Advanced Institute of Science)
  • 발행 : 1978.12.30

초록

Collagen의 model compound인 poly(Gly-Pro-Pro)의 수화에 관해서 empirical ppotential energy 함수를 사용하여 이론적으로 연구하였다. 물 분자와 model compound 간의 상호작용 energy를 최소화시켜서 물 분자들의 위치와 결합 energies를 계산하였다. 다음에는 일차수화층에 물이 붙음으로써 생기는 안정화 energy를 계산하고, 전체 안정화에 기여하는 여러 energy components의 기여도에 대해 논의하였다.

A theoretical study of the hydration of the model compound of collagen, poly(Gly-Pro-Pro), has been carried out using empirical potential energy functions. The optimum locations and binding energies of water molecules bound to the model compound have been determined by minimizing the interaction energy. The stabilization energy due to the presence of water in the first hydration shell has been evaluated by comparing the internal interaction energies between the different groups of the model compound in its non-hydrated and hydrated states. The different energy components contributing to the overall stabilization are determined and discussed.

키워드

참고문헌

  1. Nature v.174 G. N. Remachandran;G. Kartha
  2. Nature v.176 G. N. Remachandran;G. Kartha
  3. Biophysics v.3 N. G. Esipova;N. S. Andreeva;T. V. Gatovskaia
  4. J. Mol. Biol. v.43 A. Yonath;W. Traub
  5. Proc. Royal Soc. London Ser. B. v.173 G. E. Chapman;K. A. McLauchlan
  6. Biopolymers v.10 B. M. Fung;P. Trautman
  7. J. Chem. Phys. v.59 C. Migchelsen;H. J. C. Perendson
  8. Biopolymers v.10 H. Susi;J. S. Ard;R. J. Carroll
  9. Biopolymers v.13 C. A. J. Hoeve;P. C. Lue
  10. J. Phys. Chem. v.80 C.A.J. Hoeve;S. R. Kakivaya
  11. Biochim. Biophys. Acta v.474 D. Perahia;M. S. Jhon;B. Pullman
  12. Acta Cryst. v.A31 J. Caillet;P. Claverie
  13. Biopolymers v.13 J. Caillet;P. Claverie
  14. Biopolymers v.6 D. Poland;H. A. Scherga
  15. Advan. Phys. Org. Chem. v.3 R. J. W. LeFevre
  16. J. Phys. Chem. v.68 A. Bondi
  17. J. Phys. Chem. v.76 M. J. Huron;P. Claverie
  18. J. Chem. Phys. v.47 H. B. Thompson
  19. J. Chem. Phys. v.53 H. B. Thompson
  20. AERE Report, R7125 FORTRAN Subroutines for Minimization by Quasi-Newton Method R. Fletcher
  21. Int. J. Quantum Chem. Quantum Biol. Symp. v.1 G. N. Port;A. Pullman
  22. Proc. Nat. Acad. Sci.(U. S.) v.68 S. Krimm;C. M. Venkatachalam
  23. Macromolecules v.6 K. H. Forsythe;A. J. Hopfinger
  24. Biopolymers v.16 J. Engel;H. T. Chen.;D. J. Prockop;H. Klump
  25. J. Polymer Sci. Symp. v.54 M. H. Miller;H. A. Scheraga