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structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds. J Med<br />

Chem 1993; 36:148–156.<br />

Page 557<br />

13. Rotstein SH, Murcko MA. GroupBuild: A fragment-<strong>based</strong> method for de novo drug design. J Med<br />

Chem 1993; 36:1700–1710.<br />

14. Moon JB, Howe WJ. Computer design of bioactive molecules: a method for receptor-<strong>based</strong> de novo<br />

ligand design. Proteins: <strong>Structure</strong>, Function and Genetics 1991; 11:314–328.<br />

15. Eisen MB, Wiley DC, Karplus M, Hubbard RE. HOOK: A program for finding novel molecular<br />

architectures that satisfy the chemical and steric requirements of a macromolecule binding site. Proteins:<br />

<strong>Structure</strong>, Function and Genetics 1994; 19:199–221.<br />

16. Tschinke V, Cohen NC. The NEWLEAD program: a new method for the design of candidate<br />

structures from pharmacophoric hypotheses. J Med Chem 1993; 14:3863–3870.<br />

17. Gillet VJ, Myatt G, Zsoldos Z, Johnson AP. SPROUT, HIPPO and CAESA: Tools for de novo<br />

structure generation and estimation of synthetic accessibility. Perspectives in <strong>Drug</strong> Discovery and<br />

<strong>Design</strong> 1995; 3:34–50.<br />

18. Lewis RA, Roe DC, Huang C, Ferrin TE, Langridge R, Kuntz ID. Automated site-directed drug<br />

design using molecular lattices. J Mol Graphics 1992; 10:66–78.<br />

19. Kuntz ID. <strong>Structure</strong>-<strong>based</strong> strategies for drug design and discovery. Science 1992; 257:1078–1082.<br />

20. Caflisch A, Karplus M. Computational combinatorial chemistry for de novo ligand design: Review<br />

and assessment. Perspectives in <strong>Drug</strong> Discovery and <strong>Design</strong> 1995; 3:51–84.<br />

21. Miranker A, Karplus M. Functionality maps of binding sites: a multiple copy simultaneous search<br />

method. Proteins: <strong>Structure</strong>, Function, and Genetics 1991; 11:29–34.<br />

22. Caflisch A, Miranker A, Karplus M. Multiple copy simultaneous search and construction of ligands<br />

in binding sites: application to inhibitors of HIV-1 aspartic proteinase. J Med Chem 1993;<br />

36:2142–2167.<br />

23. Appelt K. Crystal structures of HIV-1 protease-inhibitor complexes. Perspectives in <strong>Drug</strong> Discovery<br />

and <strong>Design</strong> 1993; 1:23–48.<br />

24. Wlodawer A, Erickson JW. <strong>Structure</strong>-<strong>based</strong> inhibitors of HIV-1 protease. Annu Rev Biochem 1993;<br />

62:543–585.<br />

25. Stubbs MT, Bode W. Crystal structures of thrombin and thrombin complexes as a framework for<br />

antithrombotic drug design. Perspectives in <strong>Drug</strong> Discovery and <strong>Design</strong> 1993; 1:431–452.<br />

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