Theoretical Calculations of Relative Affinities of Binding

Methods in Enzymology

Volumn 202, Issue C, 1991, Pages 497-511

  Straatsma, T P ^a   McCammon, J A ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; BINDING AFFINITY; CALCULATION; PRIORITY JOURNAL; THERMODYNAMICS;

EID: 0026351939     PISSN: 00766879     EISSN: 15577988     Source Type: Book Series    
DOI: 10.1016/0076-6879(91)02025-5     Document Type: Article

References (24)

1. M. E. Davis, J. D. Madura, J. Sines, B. A. Luty, S. A. Allison, and J. A. McCammon, this volume [22].
2. McCammon, J.A., Harvey, S.C., Dynamics of Proteins and Nucleic Acids. 1987, Cambridge Univ. Press, Cambridge.
3. Brooks, C.L., Karplus, M., Pettitt, B.M., Adv. Chem. Phys., 71, 1988, 1.
4. Beveridge, D.L., DiCapua, F.M., Annu. Rev. Biophys. Biophys. Chem., 18, 1989, 431.
5. Jorgensen, W.L., Acc. Chem. Res., 22, 1989, 184.
6. van Gunsteren, W.F., van Gunsteren, W.F., Weiner, P.K., (eds.) Computer Simulation of Biomolecular Systems, 1989, ESCOM, Leiden, The Netherlands, 27.
7. Fleishman, S.H., Brooks, C.L., Proteins, 7, 1990, 52.
8. Fersht, A.R., Shi, J.P., Wilkinson, A.J., Blow, D.M., Carter, P., Waye, M.Y., Winter, G.P., Angew. Chem., 23, 1984, 467.
9. Frenkel, D., Molecular Dynamics Simulation of Statistical-Mechanical Systems., 2nd Ed. Proc. Soc. Ital. Fis., XCVII, 1986, 43.
10. Straatsma, T.P., 2nd Ed. Ph.D. Thesis, 1987, University of Groningen, Groningen, The Netherlands.
11. Mezei, M., Mol. Phys., 47, 1982, 1307.
12. Straatsma, T.P., Berendsen, H.J.C., Stam, A.J., Mol. Phys., 57, 1986, 89.
13. Tembe, B.L., McCammon, J.A., Comput. Chem., 8, 1984, 281.
14. van Gunsteren, W.F., Berendsen, H.J.C., Hermans, J., (eds.) Molecular Dynamics and Protein Structure, 1985, Polycrystal Book Service, Western Springs, Illinois, 5.
15. Jorgensen, W.L., Buckner, J.K., Boudon, S., Tirado-Rives, J., J. Chem. Phys., 89, 1988, 3742.
16. Madura, J.D., Pettitt, B.M., McCammon, J.A., Chem. Phys., 129, 1989, 185.
17. Sprik, M., Klein, M.L., J. Chem. Phys., 89, 1988, 7556.
18. Straatsma, T.P., McCammon, J.A., Mol. Simulation, 5, 1990, 181.
19. Straatsma, T.P., McCammon, J.A., Chem. Phys. Lett., 167, 1990, 252.
20. Ramnarayan, K., Rao, B.G., Singh, U.C., J. Chem. Phys., 92, 1990, 7057.
21. Mazor, M.H., Pettitt, B.M., Mol. Simulation, 6, 1991, 1.
22. Mitchell, M.J., McCammon, J.A., J. Comput Chem., 12, 1991, 271.
23. Straatsma, T.P., McCammon, J.A., J. Chem. Phys., 90, 1989, 3300.
24. Straatsma, T.P., McCammon, J.A., J. Chem. Phys., 91, 1989, 3631.