Molecular docking and dynamics simulations in the ligand binding domain of steroid hormone receptors

Pharmacochemistry Library

Volumn 32, Issue C, 2002, Pages 57-66

  Kouwijzer, Milou ^a   Mestres, Jordi ^b  

^a NV ORGANON   (Netherlands)

^b MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77957025313     PISSN: 01657208     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S0165-7208(02)80008-3     Document Type: Article

References (28)

1. Rarey M., Kramer B., Lengauer T., and Klebe G. J. Mol. Biol. 261 (1996) 470
2. Welch W., Ruppert J., and Jain A.N. Chem. Biol. 3 (1996) 449
3. Jones G., Willett P., Glen R.C., Leach A.R., and Taylor R. J. Mol. Biol. 267 (1997) 727
4. Ewing T., and Kuntz I.D. J. Comput. Chem. 18 (1997) 1175
5. Morris G.M., Goodsell D.S., Halliday R.S., Huey R., Hart W.E., Belew R.K., and Olson A.J. J. Comput. Chem. 19 (1998) 1639
6. Makino S., and Kuntz I.D. J. Comput. Chem. 19 (1998) 1834
7. Baxter C.A., Murray C.W., Clark D.E., Westhead D.R., and Eldridge M.D. Proteins 33 (1998) 367
8. Wang J., Kollman P.A., and Kuntz I.D. Proteins 36 (1999) 1
9. Leach A.R. J. Mol. Biol. 235 (1994) 345
10. Knegtel R.M.A., Kuntz I.D., and Oshiro C.M. J. Mol. Biol. 266 (1997) 424
11. Apostolakis J., Plückthun A., and Caflisch A. J. Comput. Chem. 19 (1998) 21
12. Sandak B., Wolfson H.J., and Nussinov R. Proteins 32 (1998) 159
13. Schnecke V., Swanson C.A., Getzoff E.D., Trainer J.A., and Kuhn L.A. Proteins 33 (1998) 74
14. Zacharias M., and Sklenar H. J. Comput. Chem. 20 (1999) 287
15. Trosset J.Y., and Scheraga H.A. J. Comput. Chem. 20 (1999) 412
16. Mangoni M., Roccatano D., and Di Nola A. Proteins 35 (1999) 153
17. Anderson A.C., O'Neil R.H., Surti T.S., and Stroud R.M. Chem. Biol. 8 (2001) 445
18. CHARMm version 25.2, QUANTA 98, Molecular Simulations Inc., San Diego, USA.
19. Grootenhuis P.D.J., and van Galen P.J.M. Acta Cryst. D 51 (1995) 560
20. Kuntz I.D., Blaney J.M., Oatley S.J., Langridge R., and Ferrin T.E. J. Mol. Biol. 161 (1982) 269
21. Weiner S.J., Kollman P.A., Nguyen D.T., and Case D.A. J. Comput. Chem. 7 (1986) 230
22. SYBYL version 6.7, Tripos Inc., St. Louis, USA.
23. Brzozowski A.M., Pike A.C.W., Dauter Z., Hubbard R.E., Bonn T., Engström O., Öhman L., Greene G.L., Gustafsson J.-., and Carlquist M. Nature 389 (1997) 753
24. Shiau A.K., Barstad D., Loria P.M., Cheng L., Kushner P.J., Agard D.A., and Greene G.L. Cell 95 (1998) 927
25. Pike A.C., Brzozowski A.M., Hubbard R.E., Bonn T., Thorsell A.G., Engström O., Ljunggren J., Gustafsson J.-., and Carlquist M. EMBO J. 18 (1999) 4608
26. Williams S.P., and Sigler P.B. Nature 393 (1998) 392
27. Oostenbrink B.C., Pitera J.W., van Lipzig M.M.H., Meerman J.H.N., and van Gunsteren W.F. J. Med. Chem. 43 (2000) 4594
28. T B., Carlsson B., Nilsson Y., Enmark E., Gustafsson J., and Nilsson S. Mol. Pharmacol. 54 (1998) 105-112