Journal
Article title
Title variants
Languages of publication
Abstracts
Molecular docking simulations are now fast developing area of research. In this work we describe an effective procedure of preparation of the receptor-ligand complexes. The amino-acid residues involved in ligand binding were identified and described.
Journal
Year
Volume
Issue
Pages
131-135
Physical description
Dates
published
2001
received
2000-11-2
revised
2000-12-23
accepted
2001-02-19
Contributors
author
- Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
author
- Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
author
- Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
author
- Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
author
- Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland
References
- 1. Kirkpatrick, S., Gelate, C.D., Jr. & Vecchi, M.P. (1983) Optimization by simulated annealing. Science 220, 671-680.
- 2. Cambridge Structural Database System. Cambridge Crystallographic Data Centre, Cambridge, U.K.
- 3. Pogozheva, I.D., Lomize, A.L. & Mosberg, H.I. (1998) Opioid receptor three-dimensional structures from distance geometry calculations with hydrogen bonding constraints. Biophys. J. 75, 612-634.
- 4. SYBYL v. 6.1 (1994) Tripos Inc., St. Louis, MO, U.S.A.
- 5. Palczewski, K., Kumasaka, T., Hori, T., Behnke, C.A., Motoshima, H., Fox, B.A., Le Trong, I., Teller, D.C., Okada, T., Stenkamp, R.E., Yamamoto, M. & Miyamoto, M. (2000) Crystal structure of rhodopsin: A G protein-coupled receptor. Science 289, 739-745.
- 6. AMBER 5.0 (2000) Pearlman, D.A., Case, D.A., Caldwell, J.W., Cheatham, III, T.E., Ross, W.S., Simmerling, C., Darden, T., Merz, K.M., Stanton, R.V., Cheng, A., Vincent, J.J., Crowley, M., Ferguson, D.M., Radmer, R., Seibel, G.L., Singh, U.C., Weiner, P. & Kollman, P.A., University of California, San Francisco.
- 7. GAMESS 98 (1993) Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S, Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S., Windus, T.L., Dupuis, M. & Montgomery, J.A. J. Comput. Chem. 14, 1347-1363.
- 8. Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. & Olson, A.J. (1998) Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function. J. Comput. Chem. 19, 1639-1662.
- 9. Solis, F.J. & Wets, R.J.-B. (1981) Minimization by random search techniques. Mathematical Operations Res. 6, 19-30.
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-abpv48i1p131kz