Drug-design methodology

Ho, C.M.W. RACHEL , RACHEL is developed by Drug Design Methodologies LLC, http //www.newdrugdesign.com and is distributed by Tripos Inc, http //www.tripos.com, 2002. 

M.L. West, D. Fairlie, Targeting HIV-1 protease A test of drug-design methodologies. Trends Pharmacol. Sci. 16 (1995) 67-74. 

There are several pitfalls with the current structure-based drug design methodologies. The foremost is scoring, as yet there is no satisfactory... 

Several speakers have prefaced their discussion of drug design methodology by lamenting the lack of specific geometric... 

Our next step was to assess whether the methodology used to calculate hydration free energy differences for simple carbonyl-containing compounds9 was suitable for heteroaromatic bases. Since our drug design strategy entailed analysis of purine riboside hydration, a series of azanaphthalenes was initially selected for analysis in part because of their structural similarity to purines and in part because of the extensive... 

Parrill AL, Reddy MR. Rational Drug Design—Novel Methodology and Practical Applications, American Chemical Society, Washington, DC, 1999. 

Ficarra, R., Cutroneo, P., Aturki, Z., Tommasini, S., Calabro, M. L., Phan-Tan-Luu, R., Fanali, S., and Ficarra, P. (2002). An experimental design methodology applied to the enantioseparation of a non-steroidal anti-inflammatory drug candidate. J. Pharm. Biomed. Anal. 29, 989-997. 

Teopsha, a., Cho, S.)., Zheng, W. New Tricks for an Old Dog development and application of novel QSAR methods for rational design of combinatorial chemical libraries and database mining. In Rational Drug Design Novel Methodology and Practical Applications, ACS Symposium Series Vol. 719, Paeeill,... 

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