Drug design molecular modeling

W. J. Zeller, M. D Incalci, and D. R. Newell, Novel Approaches in Anticancer Drug Design Molecular Modeling - New Treatment Strategies. International Symposium on Novel Approaches in Cancer Therapy, Heidelberg, December 1-4, 1993, in Contrib. Oncol., Vol. 49, Karger, Basel, 1995. 

Keywords Drug design, molecular modeling, agrochemicals, enzyme inhibitors, ab initio, inter-... 

Burridge, and C. C. F. Blake, ]. Med. Chem., 25, 785 (1982). Computer Graphics in Drug Design Molecular Modelling of Thyroid Hormone—Prealbumin Interactions. 

Conformational analysis is becoming a widely utilized tool in drug design, molecular modeling, and the determination of structure-activity relationships. Of the many techniques presently available for conformational studies, classical, empirical potential energy functions hold great promise in providing relatively inexpensive explorations of conformational hyperspace in various simulated solvent environments. An excellent example of the application of these classical techniques is embodied in the CAMSEQ Software System (1,2.,3.). 

Keywords ribosome antibiotics RNA drug design molecular modeling crystallography docking QSAR Macrolides Oxazolidinones aminoglycosides molecular properties... 

Keywords BMLR CODESSA Drug design Molecular descriptors Molecular modeling ... 

H. Weinstein, R. Osman, S. Topiol, and C. A. Venanzi, Pharmacoehem. Libr., 6,81 (1983). Drug Design, Molecular Determinants for Biological Mechanisms Model Studies. 

Marshall G R 1955. Molecular Modeling in Drug Design. In Wolff M E (Editor) Burger s Medicinal Chemistry and Drug Discovery. 5th Edition, Volume 1. New York, John Wiley Sons, pp. 573-659. 

A. R. Leach, Molecular Modelling Principles and Applications Longman, Essex (1996). G. A. Jeffrey, J. F. Piniela, The Application of Charge Density Research to Chemistry and Drug Design Plenum, New York (1991). 

Guidebook on Molecular Modeling in Drug Design N. C. Cohen, Ed., Academic, San Diego (1996). 

Molecular Modelling and Drug Design J. G. Vintner, M. Gardner, Eds., CRC, Boca Raton (1994). 

A. Itai, Y. Mizutani, Y. Nishibata, and N. Tomioka, in N. C. Cohen, Guidebook on Molecular Modeling in Drug Design, Academic Press, San Diego, Calif., 1996, pp. 93-138. 

M. S. Tute, in C. A. Ramsden, vol. ed.. Comprehensive Medicinal Chemisty, Vol. A, Quantitative Drug Design, Pergamon Press, New York, 1990, pp. 1—32. Definition of Molecular Modeling and Uses of CAMM ... 

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