Calculation of protein-polymer force fields using molecular dynamics

Journal of Colloid and Interface Science

Volumn 185, Issue 1, 1997, Pages 258-264

  Pitt, William G ^a   Weaver, Daniel R ^a,b  

^a Department of Electrical and Computer Engineering   (United States)

^b Vista Chemical Co   (United States)

Author keywords

Adsorption; Enkephalin; Force field; Molecular dynamics; Polyethylene; Protein

Indexed keywords

ENKEPHALIN; LEUCINE ENKEPHALIN; POLYETHYLENE; POLYMER; POLYPEPTIDE; PROTEIN;

ARTICLE; MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

EID: 0030809821     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcis.1996.4607     Document Type: Article

References (26)

1. 1. Horbett, T. A., and Brash, J. L., in "Proteins at Interfaces" (J. L. Brash and T. A. Horbett, Eds.), Vol. 343, p. 1. American Chemical Society, Washington, DC, 1987.
2. 2. Hagler, A. T., in "The Peptides" (V. J. Hruby and J. Meienhofer, Eds.), Vol. 7, p. 213. Academic Press, New York, 1985.
3. 3. Allen, M. P., and Tildesley, D. J., "Computer Simulation of Liquids." Clarendon, Oxford, 1987.
4. 4. Hagler, A. T., Huler, E., and Lifson, S., J. Am. Chem. Soc. 96, 5319 (1974).
5. 5. Lifson, S., Hagler, A. T., and Dauber, P., J. Am. Chem. Soc. 101, 5111 (1979).
6. 6. Hagler, A. T., Lifson, S., and Dauber, P., J. Am. Chem. Soc. 101, 5122 (1979).
7. 7. Hagler, A. T., Dauber, P., and Lifson, S., J. Am. Chem. Soc. 101, 5131 (1979).
8. 8. Warshel, A., and Lifson, J., J. Chem. Phys. 53, 582 (1970).
9. 9. Weaver, D. R., Surface-Protein Capture Probabilities: Application to Enkephalin on Polyethylene, Ph.D. Dissertation, Brigham Young University, 1995.
10. 10. "Discover Manual." Biosym Inc., San Diego, 1990.
11. 11. Kavesh, S., and Shultz, J., J. Polym. Sci. A-2 8, 243 (1970).
12. 12. Shi, M., Holl, Y., Guilbert, Y., and Clouet, F., Makromol. Chem., Rapid Commun. 12, 227 (1991).
13. 13. Camerman, A., Mastropaolo, D., Karle, I., Karle, J., and Camerman, M. Nature 306, 447 (1983).
14. 14. Rossky, P. J., and Karplus, M., Biopolymers 18, 825 (1979).
15. 15. Hruby, V. J., Kao, L., Pettitt, B. M., and Karplus, M., J. Am. Chem. Soc. 110, 3351 (1988).
16. 16. Alberty, R., and Daniels, F., "Physical Chemistry." Wiley, New York, 1979.
17. 17. Lu, D., and Park, K., J. Biomater. Sci. Polym. Edn. 1, 243 (1990).
18. 18. Israelachvili, J. N., "Intermolecular and Surface Forces with Applications to Colloidal and Biological Systems." Academic Press, London, 1985.
19. 19. Bujnowski, A. M., Spatial and Orientation Distribution Functions of Water in Protein-Solid Systems: A Molecular Dynamics Study, M.S. Thesis, Brigham Young University, 1996.
20. 20. Lee, C. Y., and McCammon, J. A., J. Chem. Phys. 80, 4448 (1984).
21. 21. Belch, A. C., and Berkowitz, M., Chem. Phys. Let. 113, 278 (1984).
22. 22. Dauber-Osguthorpe, P., Roberts, V. A., Osguthorpe, D. J., Wolff, J., Genest, M., and Hagler, A. T., Proteins Structure, Function and Genetics 4, 31 (1988).
23. 23. Paul, P. K., Dauber-Osguthorpe, P., Campbell, M. M., Brown, D. W., Kinsman, R. G., Moss, C., and Osguthorpe, D. J., Biopolymers 29, 623 (1990).
24. 24. Rodriguez, F., "Principles of Polymer Systems." Hemispheric, New York, 1989.
25. 25. Zemlin, F., Reuber, E., Beckmann, E., Zeitler, E., and Dorset, D. L., Science 229, 461 (1985).
26. 26. Mansfield, K. F., and Theodorou, D. N., Macromolecules 24, 6283 (1991).