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Drug design, computational

Lebon et al., 1996] Lebon, F., Vinals, C., Feytmans, E., and Durant, F. Computational drug design of new HIV-1 protease inhibitors. Arch. Phys. Biochem. 104 (1996) B44. [Pg.63]

Homology modeling is discnssed in recent computational drug design texts and... [Pg.192]

It is worthwhile at this point to briefiy discuss several problems from the field of protein folding, as they bear a strong similarity to those of computational drug design and have been studied for a longer time. Three fundamental problems underlying most research on protein folding are ... [Pg.341]

Lin JH, Perryman AL, Schames JR, McCammon JA. 2002. Computational drug design accommodating receptor flexibility the relaxed complex scheme. J Am Chem Soc... [Pg.303]

Van de Waterbeemd H, Carter RE, Grassy G, Kubinyi H, Martin YC, Tute MS, Willett P. Glossary of terms used in computational drug design. Pure Appl... [Pg.409]

Computational Drug Design Groups Department of Research Informatics Biogen Idee 12 Cambridge Center Cambridge, MA 02142 USA... [Pg.1]

Carlson, H. A. and McCammon, J. A. (2000) Accommodating protein flexibility in computational drug design. Mol. Pharmacol. 57, 213-218. [Pg.89]

Wilson GL, Lill MA (2011) Integrating structure-based and ligand-based approaches for computational drug design. Future Med Chem 3(6) 735-750... [Pg.12]

Wolber, G., Seidel, T., Bendix, F., and Langer, T. (2008) Molecule-pharmacophore superpositioning and pattern matching in computational drug design. Drug Discov. Today 13, 23-29. [Pg.294]

Li, L., Bum-Erdene, K., Baenziger, P. H., et al. 2010. BioDrugScreen A computational drug design resource for ranking molecules docked to the human pro-teome. Nucleic Acids Res. 38 0765-773. [Pg.200]

See other pages where Drug design, computational is mentioned: [Pg.363]    [Pg.327]    [Pg.345]    [Pg.345]    [Pg.162]    [Pg.284]    [Pg.485]    [Pg.377]    [Pg.288]    [Pg.256]    [Pg.256]    [Pg.190]    [Pg.78]    [Pg.644]    [Pg.177]    [Pg.1653]    [Pg.588]    [Pg.658]    [Pg.2926]    [Pg.296]    [Pg.43]    [Pg.197]    [Pg.644]    [Pg.1073]    [Pg.1190]    [Pg.768]    [Pg.2835]    [Pg.262]    [Pg.28]    [Pg.148]    [Pg.240]    [Pg.25]   
See also in sourсe #XX -- [ Pg.345 ]



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Computational techniques drug design

Computational tools computer-assisted drug design

Computer design

Computer-aided drug design (CADD

Computer-aided molecular drug design

Computer-assisted drug design

Computer-assisted drug design CADD)

Design computational

Drug design computer graphics

Drug design/discovery computational systems

Drugs, computer-aided design

Lead compounds computer-assisted drug design

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