Conformational flexibility and receptor interaction

Bioorganic and Medicinal Chemistry

Volumn 6, Issue 6, 1998, Pages 785-788

  Janssen, Lambert H M ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Conformational energy; Conformational flexibility; Free energy of binding; Receptor bound conformation; Receptor interaction

Indexed keywords

KETANSERIN;

CONFORMATION; DRUG RECEPTOR BINDING; ENERGY; LIGAND BINDING; RECEPTOR AFFINITY; SHORT SURVEY;

EID: 0031835169     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(98)00033-9     Document Type: Article

References (8)

1. Ajay; Murcko, M. A. J. Med. Chem. 1995, 38, 4953.
2. Böhm, H.-J.; Klebe, G. Angew. Chem. Int. Ed. Engl. 1996, 35, 2588.
3. Koehler, K. F.; Rao, S. N.; Snyder, J. P. In Guidebook on Molecular Modeling in Drug Design; Cohen, N. C., Ed.; Academic: San Diego, 1996; pp 235-336.
4. Nicklaus, M. C.; Wang, S.; Driscoll, J. S.; Milne, G. W. A. Bioorg. Med. Chem. 1995, 3, 411.
5. Williams, D. H.; Cox, J. P. L.; Doig, A. J.; Gardner, M.; Gerhard, U.; Kaye, P. T.; Lal, A. R.; Nicholls, I. A.; Salter, C. J.; Mitchell, R. C. J. Am. Chem. Soc. 1991, 113, 7020.
6. Tollenaere, J. P. Janssen Chimica Acta 1987, 5, 14.
7. Atkins, P. W. Physical Chemistry 4th ed.; Oxford University: Oxford, 1990.
8. Pettitt, B. M.; Karplus, M. In Topics in Molecular Pharmacology; Burgen, A. S. V.; Roberts, G. C. K.; Tute, M. S., Eds.; Elsevier: Amsterdam, 1986; 3, 75-113.