메뉴 건너뛰기




Volumn 20, Issue 3, 1999, Pages 336-347

Mapping of proteinase active sites by projection of surface-derived correlation vectors

Author keywords

Active site; Neural network; Nonlinear projection; Protein cavity; Topological correlation

Indexed keywords


EID: 0343525176     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199902)20:3<336::AID-JCC5>3.0.CO;2-A     Document Type: Article
Times cited : (15)

References (40)
  • 1
    • 0017309766 scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1976) Nature , vol.261 , pp. 552
    • Levitt, M.1    Chothia, C.2
  • 2
    • 0019443447 scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1981) Adv Pro Chem , vol.34 , pp. 167
    • Richardson, J.S.1
  • 4
    • 0000448277 scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1992) Curr Opin Struct Biol , vol.2 , pp. 888
    • Thornton, J.M.1
  • 5
    • 0029785147 scopus 로고    scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1996) Science , vol.273 , pp. 595
    • Holm, L.1    Sander, C.2
  • 6
    • 0028230909 scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1994) Prot Sci , vol.3 , pp. 769
    • Fischer, D.1    Wolfson, H.2    Lin, S.L.3    Nussinov, R.4
  • 7
    • 0030724039 scopus 로고    scopus 로고
    • Levitt, M.; Chothia, C. Nature 1976, 261, 552; Richardson, J. S. Adv Pro Chem 1981, 34, 167; Richardson, J. S.; Richardson, D. C.; Tweedy, N. B.; Gernert, K. M.; Quinn, T. P.; Hecht, M. H.; Erickson, B. W.; Yan, R.; McClain, R. D.; Donlan, M. E.; Surles, M. C. Biophys J 1992, 63, 1186; Thornton, J. M. Curr Opin Struct Biol 1992, 2, 888; Holm, L.; Sander, C. Science 1996, 273, 595; Fischer, D.; Wolfson, H.; Lin, S. L.; Nussinov, R. Prot Sci 1994, 3, 769; Wallace, A. C.; Borkakoti, N.; Thomton, M. Prot Sci 1997, 6, 2308.
    • (1997) Prot Sci , vol.6 , pp. 2308
    • Wallace, A.C.1    Borkakoti, N.2    Thomton, M.3
  • 8
    • 0003828001 scopus 로고    scopus 로고
    • Wiley-VCH: Weinheim
    • Gubemator, K.; Böhm, H.-J. eds.; Structure-Based Ligand Design; Wiley-VCH: Weinheim, 1998. Structure based design methods rely on surface properties of cavities; for instance: Bohacek, R. S.; McMartin, C. J Med Chem 1992, 35, 1671; Blaney, J. M.; Dixon, J. S. Persp Drug Discov 1993, 1, 301.
    • (1998) Structure-Based Ligand Design
    • Gubemator, K.1    Böhm, H.-J.2
  • 9
    • 0026696669 scopus 로고
    • Gubemator, K.; Böhm, H.-J. eds.; Structure-Based Ligand Design; Wiley-VCH: Weinheim, 1998. Structure based design methods rely on surface properties of cavities; for instance: Bohacek, R. S.; McMartin, C. J Med Chem 1992, 35, 1671; Blaney, J. M.; Dixon, J. S. Persp Drug Discov 1993, 1, 301.
    • (1992) J Med Chem , vol.35 , pp. 1671
    • Bohacek, R.S.1    McMartin, C.2
  • 10
    • 0001650642 scopus 로고
    • Gubemator, K.; Böhm, H.-J. eds.; Structure-Based Ligand Design; Wiley-VCH: Weinheim, 1998. Structure based design methods rely on surface properties of cavities; for instance: Bohacek, R. S.; McMartin, C. J Med Chem 1992, 35, 1671; Blaney, J. M.; Dixon, J. S. Persp Drug Discov 1993, 1, 301.
    • (1993) Persp Drug Discov , vol.1 , pp. 301
    • Blaney, J.M.1    Dixon, J.S.2
  • 11
    • 0028881975 scopus 로고
    • Laskowki, R. A. J Mol Graph 1995, 13, 323; Laskowski, R. A.; Luscombe, N. M.; Swindells, M. B.; Thornton, J. M. Prot Sci 1996, 5, 2438 (and references cited therein).
    • (1995) J Mol Graph , vol.13 , pp. 323
    • Laskowki, R.A.1
  • 14
    • 0003989038 scopus 로고
    • Blackie: Glasgow
    • Dean, P. M., ed. Molecular Similarity in Drug Design; Blackie: Glasgow, 1995; Balaban, A. T., ed. From chemical Topology to Three-Dimensional Geometry; Plenum: New York, 1997.
    • (1995) Molecular Similarity in Drug Design
    • Dean, P.M.1
  • 17
    • 0031542184 scopus 로고    scopus 로고
    • The evenly distributed sphere points were obtained from Jon Leech, University of North Carolina, Chapel Hill, via ftp (ftp.cs-unc.edu/pub/users/leech/points-tat.gz). For a discussion on the topic, see Saff, E. B.; Kuijlaars, A. B. J. Math Intell 1997, 29, 5.
    • (1997) Math Intell , vol.29 , pp. 5
    • Saff, E.B.1    Kuijlaars, A.B.J.2
  • 18
    • 0021107965 scopus 로고
    • Connolly, M. L. Science 1983, 221, 709; Connolly, M. L. J Appl Cryst 1983, 16, 548.
    • (1983) Science , vol.221 , pp. 709
    • Connolly, M.L.1
  • 19
    • 0000538815 scopus 로고
    • Connolly, M. L. Science 1983, 221, 709; Connolly, M. L. J Appl Cryst 1983, 16, 548.
    • (1983) J Appl Cryst , vol.16 , pp. 548
    • Connolly, M.L.1
  • 22
    • 0031431303 scopus 로고    scopus 로고
    • Bienfait, B.; Gasteiger, J. J Mol Graph Model 1997, 15, 203; Domine, D.; Devillers, J.; Chastrette, M.; Karcher, W. J Chemometrics 1993, 7, 227.
    • (1997) J Mol Graph Model , vol.15 , pp. 203
    • Bienfait, B.1    Gasteiger, J.2
  • 26
    • 85030360605 scopus 로고    scopus 로고
    • Oxford Molecular Ltd., The Magdalen Centre, Oxford Science Park, Oxford, UK
    • TSAR 3.1, Oxford Molecular Ltd., The Magdalen Centre, Oxford Science Park, Oxford, UK.
    • TSAR 3.1
  • 30
    • 0020068152 scopus 로고
    • Kohonen, T. Biol Cybernet 1982, 43, 59; Kohonen, T. Self-Organization and Associative Memory; Springer: Heidelberg, 1989.
    • (1982) Biol Cybernet , vol.43 , pp. 59
    • Kohonen, T.1
  • 34
    • 0025290527 scopus 로고
    • Davies, D. R. Annu Rev Biophys Biophys Chem 1990, 19, 189; Guruprasad, K.; Dhanaraj, V.; Groves, M.; Blundell, T. L. Persp Drug Discovery Des 1994, 2, 329.
    • (1990) Annu Rev Biophys Biophys Chem , vol.19 , pp. 189
    • Davies, D.R.1
  • 40
    • 85034532569 scopus 로고    scopus 로고
    • During the final stages of this project, we became aware that similar work is in progress in the group of Prof. G. Klebe, Marburg (personal communication)
    • During the final stages of this project, we became aware that similar work is in progress in the group of Prof. G. Klebe, Marburg (personal communication).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.