Computer aided drag design

J Aqvist, C Medina, J-E Samuelsson. A new method for predicting binding affinity in computer-aided drag design. Protein Eng 7 385-391, 1994. [Pg.367]

Department of Computer-Aided Drag Design, Bristol-Myers Squibb Research and Development,... [Pg.105]

Laura Guasch Computer-Aided Drag Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institnte, National Institutes of Health, Frederick, MD, USA... [Pg.260]

Clark, D. E. What has computer-aided molecular design ever done for drag discovery Expert Opin. Drug Discov. 2006,1, 103-110. [Pg.62]

Klebe, G., Mietzner, T. and Weber, F. (1994) Different approaches toward an automatic structural alignment of drag molecules applications to sterol mimics, thrombin and thermolysin inhibitors. J. Comput.-Aided Mol. Design. 8 751. [Pg.416]

Poomima, C. S. and Dean, P. M. (1995) Hydration in drag design. 2. Influence of local site surface shape on water binding. J. Comput. Aided Mol. Des. 9,513-520. [Pg.90]

Schubert CR, Stultz CM (2009) The multi-copy simultaneous search methodology a fundamental tool for structure-based drag design. J Comput Aided Mol Des 23 475 -89... [Pg.219]

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