Reconstructing potential energy functions from simulated force-induced unbinding processes

Biophysical Journal

Volumn 73, Issue 3, 1997, Pages 1281-1287

  Balsera, M ^a   Stepaniants, S ^a   Izrailev, S ^a   Oono, Y ^a   Schulten, K ^a,b  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; ATOMIC FORCE MICROSCOPY; BINDING AFFINITY; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION;

EID: 0030872242     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(97)78161-X     Document Type: Article

References (16)

1. Allen, M. P., and D. J. Tildesley. 1987. Computer Simulation of Liquids. Oxford University Press, New York. 162-195.
2. Baljon, R. C. A., and M. O. Robbins. 1996. Energy dissipation during rupture of adhesive bonds. Science. 271:482-484.
3. Bell, G. I. 1978. Model for the specific adhesion of cells to cells. SCI. 200:618-627.
4. Chilcotti, A., T. Boland, B. D. Ratner, and P. S. Stayton. 1995. The relationship between ligand-binding thermodynamics and protein-ligand interaction forces measured by atomic force microscopy. Biophys. J. 69:2125-2130.
5. Chilcotti, A., and P. S. Stayton. 1995. Molecular origins of the slow streptavidin-biotin dissociation kinetics. J. Am. Chem. Soc. 117: 10622-10628.
6. Evans, E., and K. Ritchie. 1997. Dynamic strength of molecular adhesion bonds. Biophys. J. 72:1541-1555.
7. Evans, E., K. Ritchie, and R. Merkel. 1995. Sensitive force technique to probe molecular adhesion and structural linkages at biological interfaces. Biophys. J. 68:2580-2587.
8. Florin, E.-L., V. T. Moy, and H. E. Gaub. 1994. Adhesion force between individual ligand-receptor pairs. Science. 264:415-417.
9. Gardiner, C. W. 1985. Handbook of Stochastic Methods. Springer, New York. 106-107.
10. Grubmüller, H., B. Heymann, and P. Tavan. 1996. Ligand binding and molecular mechanics calculation of the streptavidin-biotin rupture force. Science. 271:997-999.
11. Izrailev, S., S. Stepaniants, M. Balsera, Y. Oono, and K. Schulten. 1997. Molecular dynamics study of unbinding of the avidin-biotin complex. Biophys. J. 72:1568-1581.
12. Kumar, S., D. Bouzida, R. H. Swendsen, P. A. Kolman, and J. M. Rosenberg. 1992. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J. Comp. Chem. 13:1011-1021.
13. McCammon, J. A., and S. C. Harvey. 1987. Dynamics of Proteins and Nucleic Acids. Cambridge University Press, Cambridge, UK.
14. Moy, V. T., E.-L. Florin, and H. E. Gaub. 1994a. Adhesive forces between ligand and receptor measured by AFM. Colloids and Surfaces. 93: 343-348.
15. Moy, V. T., E.-L. Florin, and H. E. Gaub. 1994b. Intermolecular forces and energies between ligands and receptors. Science. 266:257-259.
16. Press, W. H., S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery. 1992. Numerical Recipes in C, 2nd. Ed. Cambridge University Press, New York.