Molecular Partial Similarity Using Surface-Volume Comparisons

Computer-Assisted Lead Finding and Optimization: Current Tools for Medicinal Chemistry

Volumn , Issue , 2007, Pages 421-432

  Perkins, Tim D J ^a   Dean, Philip M ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS;

ELECTROSTATIC POTENTIALS; MOLECULAR SURFACES; OVERLAPPING REGIONS; PARTIAL SIMILARITIES; POINT-BASED; SURFACE VOLUME; THERMOLYSIN; X RAY CRYSTALS;

MOLECULES;

EID: 84951807478     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783906390406.ch26     Document Type: Chapter

References (22)

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2. Barakat, M.T., Dean, P.M., J. Comput.-Aided Mol. Design 1990, 4, 317.
3. Kearsley, S.K., Smith, G.M., Tetrahedron Comput. Methodol 1990, 3, 615.
4. Klebe, G., Mietzner, T., Weber, F.J., J. Comput.-Aided Mol. Design 1994, 8, 751.
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6. Masek, B.B., Marchant, A., Matthew, J.B., J. Med. Chem. 1993, 36, 1230.
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8. Masek, B.B., Marchant, A., Matthew, J.B., Proteins 1993, 17, 193.
9. Perkins, T.D.J., Mills, J.E.J., Dean, P.M., in 'QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications', Eds. Sanz, E, Giraldo, J, Manaut, E, Prous, Barcelona, 1995, pp. 374-379.
10. Perkins, T.D.J., Mills, J.E.J., Dean, P.M., J. Comput.-Aided Mol. Design 1995, 9, 479.
11. Barakat, M.T., Dean, P.M., J. Comput.-Aided Mol Design 1991, 5, 107.
12. Dean, P.M., Callow, P., Chau, P.-L., J. Mol. Graph. 1988, 6, 28.
13. Borea, P.A., Dean, P.M., Martin, I.L., Perkins, T.D.J., Mol. Neuropharmacol. 1992, 2, 261.
14. van Laarhoven, P.J.M., Aarts, E.H.L., Simulated Annealing: Theory and Applications, Reidel, Dordrecht, 1987.
15. Mills, J.E.J., Dean, P.M., J. Comput.-Aided Mol. Design 1996, in press.
16. Allen, F.H., Davies, J.E., Galloy, J.J., Johnson, O., Kennard, O., Macrae, C.F., Mitchell, E.M., Mitchell, G.F., Smith, J.M., Watson, D.G., J. Chem. Inf. Comp. Sci. 1991, 37, 187.
17. Perkins, T.D.J., Dean, P.M., J. Comput.-Aided Mol. Design 1993, 7, 155.
18. Bernstein, F.C., Koetzle, T.F., Williams, G.J.B., Meyer, E.F., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanouchi, T., Tasmui, M., J. Mol. Biol. 1977, 112, 535.
19. Ihlenfeldt, W.D., Takahashi, Y., Abe, H., Sasaki, S., J. Mol. Biol. 1994, 34, 109.
20. Perkins, T.D.J., Dean, P.M., J. Comput.-Aided Mol. Design 1993, 7, 155.
21. Dean, P.M., Barakat, M.T., Garland, S.L., Mills, J.E.J., Perkins, T.D.J., Todorov, N.P., in 'Bioactive Compound Design: Possibilities for Industrial Use', Eds. Ford, M.G., Greenwood, R., Brooks, G.T., Franke, R., Bios Scientific Publishers, Oxford, 1996, pp. 57-66.
22. Perkins, T.D.J., in 'Molecular Similarity in Drug Design', Ed. Dean, P.M., Blackie, London, 1995, pp. pp. 89-109.