Systematic search in conformational analysis

Journal of Molecular Structure: THEOCHEM

Volumn 370, Issue 2-3, 1996, Pages 157-171

  Beusen, Denise D ^a,b   Shands, E F Berkley ^a   Karasek, S F ^a   Marshall, Garland R ^a   Dammkoehler, Richard A ^a  

^a WASHINGTON UNIVERSITY   (United States)

^b TRIPOS INC   (United States)

Author keywords

Conformational search; Molecules from aggregate; Sampling method

Indexed keywords

EID: 0041540453     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04565-4     Document Type: Article

References (31)

1. H.I. Iijima, J.B. Dunbar, Jr. and G.R. Marshall, Proteins: Struct. Func. Gen., 2 (1987) 330-339.
2. Protein Data Bank Chemistry Department, Bldg. 555, Brookhaven National Laboratory, P.O. Box 5000, Upton, NY 11973-5000 USA.
3. SYBYL, Tripos Associates, Inc., 1699 S. Hanley Road, Suite 303, St. Louis, MO 63144.
4. R.A. Dammkoehler, S.F. Karasek, E.F.B. Shand and G.R. Marshall, J. Comput.-Aided Mol. Design, 3 (1989) 3-21.
5. G.R. Marshall, In 3D QSAR in Drug Design: Theory, Methods and Applications, H. Kubinyi (Editor), ESCOM Scientific Publishers, Leiden (1993), pp. 80-116.
6. I. Motoc, R.A. Dammkoehler, D. Mayer and J. Labanowski, J. Quant. Struct.-Act. Relat., 5 (1986) 99-105.
7. M. Clark, R.D. Cramer III and N. Van Opdenbosch, Comput. Chem., 10 (1989) 982-1012.
8. J. Moult and M.N.G. James, PROTEINS: Structure, Function and Genetics, 1 (1986) 146-163.
9. G.R. Marshall, C.D. Barry, H.E. Bosshard, R.A. Dammkoehler and D.A. Dunn, In Computer-Assisted Drug Design; E.C. Olson and R.E. Christoffersen (Editor), American Chemical Society, Washington, DC (1979) Vol. No. 112, pp. 205-226.
10. D. Mayer, C.B. Naylor, I. Motoc and G.R. Marshall, J. Comput. Aided Mol. Des., 1 (1987) 3-16.
11. C.L. Waller, E.F.B. Shands, R.A. Dammkoehler and G.R. Marshall, J. Comp.-Aided Mol. Design, in press.
12. R.A. Dammkoehler, S.F. Karasek E.F.B. Shands and G.R. Marshall, J. Comp.-Aided. Mol. Design, 9 (1996) 491-499.
13. C.E. Peishoff, J.S. Dixon and K.D. Kopple, Biopolymers, 30 (1990) 45-56.
14. M. Saunders, K.N. Houk, Y.-D. Wu, W.C. Still, M. Lipton, G. Chang and W.C. Guida, J. Am. Chem. Soc., 112 (1990) 1419-1427.
15. M. Saunders and H.A. Jimenez-Vazquez, J. Comput. Chem., 14 (1993), 330-348.
16. M. Lipton and W.C. Still, J. Comput. Chem., 9 (1988) 343-355.
17. H.-J. Bohm, G. Klebe, T. Lorenz, T. Mietzner and L. Siggel, J. Comput. Chem., 11 (1990) 1021-1028.
18. M. Yodo, T. Kataoka and G.R. Marshall, in preparation.
19. C.E. Peishoff and J.S. Dixon, J. Comput. Chem., 13 (1992) 565-569.
20. Cambridge Structural Database System 3, Cambridge Crystallographic Data Center, 12 Union Road, Cambridge, CB2 1EZ United Kingdom.
21. R. Boelens, T.M.G. Koning, G.A. van der Marel, J.H. van Boom and R. Kaptein, J. Magn. Reson., 82 (1989) 290-308.
22. M. Nilges, G.M. Clore and A.M. Gronenborn, Biopolymers, 29 (1990) 813-822.
23. P. Guntert, W. Braun, M. Billeter and K. Wuthrich, J. Am. Chem. Soc., 111 (1989) 3997-4004.
24. C. Gonzalez, J.A.C. Rullmann, A.M.J.J. Bonvin, R. Boelens and R. Kaptein, J. Magn. Reson., 91 (1991) 659-664.
25. G.R. Marshall, E.E. Hodgkin, D.A. Langs, G.D. Smith, J. Zabrocki and M.T. Leplawy, Proc. Natl. Acad. Sci. USA, 87 (1990) 487-491.
26. D.D. Beusen and R.D. Head, in preparation.
27. D.D. Beusen, R.D. Head and G.V. Nikiforovich, in Peptides: Chemistry, Structure and Biology, P. Kaumaya and R.S. Hodges (Eds.), Mayflower Scientific Ltd., Kingswinford, UK, 1996, pp. 521-523.
28. T.C. Terwilliger and D. Eisenberg, J. Biol. Chem., 257 (1982) 6010-6015.
29. D.D Beusen, R.D. Head, J.D. Clark, W.C. Hutton, U. Slomczynska, J. Zabrocki, M.T. Leplawy and G.R. Marshall, In Peptides 1992 (22nd European Peptide Symposium), ESCOM Scientific Publishers, Leiden (1992) pp. 79-80.
30. I.L. Karle, J.L. Flippen-Anderson, S. Agarwalla and P. Balaram, P. Proc. Natl. Acad. Sci. USA, 88 (1991) 5307-5311.
31. D.D. Beusen, J. Zabrocki, U. Slomczynska, R.D. Head, J.L.-F. Kao and G.R. Marshall, Biopolymers, 36 (1995) 181-200.