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Volumn 38, Issue 12, 1995, Pages 2080-2090

Receptor Surface Models. 1. Definition and Construction

Author keywords

[No Author keywords available]

Indexed keywords

DRUG RECEPTOR; LEVORPHANOL; MORPHINE; ONDANSETRON; PETHIDINE;

EID: 0029065636     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm00012a007     Document Type: Article
Times cited : (190)

References (37)
  • 1
    • 0023759007 scopus 로고
    • The Hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules
    • Doweyko, A. M. The Hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J. Med. Chem. 1988, 31, 1396-1406.
    • (1988) J. Med. Chem. , vol.31 , pp. 1396-1406
    • Doweyko, A.M.1
  • 3
    • 0042776597 scopus 로고
    • A novel method for superimposing molecules and receptor mapping
    • Kato, Y.; Itai, A.; Iitaka, Y. A novel method for superimposing molecules and receptor mapping. Tetrahedron 1987, 43, 5229-5236.
    • (1987) Tetrahedron , vol.43 , pp. 5229-5236
    • Kato, Y.1    Itai, A.2    Iitaka, Y.3
  • 7
    • 0023751431 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins
    • Cramer, R. D.; Patterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 9
    • 0028030875 scopus 로고
    • Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models
    • Walters, D. E.; Hinds, R. M. Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models. J. Med. Chem. 1994, 37, 2527-2535.
    • (1994) J. Med. Chem. , vol.37 , pp. 2527-2535
    • Walters, D.E.1    Hinds, R.M.2
  • 10
    • 0000538815 scopus 로고
    • Analytical molecular surface calculation
    • Connolly, M. L. Analytical molecular surface calculation. J. App. Crystallogr. 1983, 16, 548-558.
    • (1983) J. App. Crystallogr. , vol.16 , pp. 548-558
    • Connolly, M.L.1
  • 11
    • 0021107965 scopus 로고
    • Sovlent-accessible surface of proteins and nucleic acid
    • Connolly, M. L. Sovlent-accessible surface of proteins and nucleic acid. Science 1983, 221, 709-713.
    • (1983) Science , vol.221 , pp. 709-713
    • Connolly, M.L.1
  • 12
    • 0026112194 scopus 로고
    • On the use of isovalued surfaces to determine molecule shape and reaction pathways
    • Purvis, G. D. On the use of isovalued surfaces to determine molecule shape and reaction pathways. J. Comput.-Aided Mol. Design 1991, 5, 55-80.
    • (1991) J. Comput.-Aided Mol. Design , vol.5 , pp. 55-80
    • Purvis, G.D.1
  • 14
    • 0024028105 scopus 로고
    • Description of molecular surface shape using Fourier descriptors
    • Leicester, S. E.; Finney, J. L.; Bywater, R. P. Description of molecular surface shape using Fourier descriptors. J. Mol. Graphics 1988, 6, 104-108.
    • (1988) J. Mol. Graphics , vol.6 , pp. 104-108
    • Leicester, S.E.1    Finney, J.L.2    Bywater, R.P.3
  • 15
    • 0029007232 scopus 로고
    • Receptor surface models. 2. Application to Quantitative Structure Activity Relationship Studies
    • Hahn, M. A.; Rogers, D. Receptor surface models. 2. Application to Quantitative Structure Activity Relationship Studies. J. Med. Chem. 1995, 38, 2091-2102.
    • (1995) J. Med. Chem. , vol.38 , pp. 2091-2102
    • Hahn, M.A.1    Rogers, D.2
  • 16
    • 44949267284 scopus 로고
    • An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
    • Kearsely, S. K.; Smith, G. M. An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap. Tetrahedron Comput. Methodol. 1990, 3, 615-633.
    • (1990) Tetrahedron Comput. Methodol. , vol.3 , pp. 615-633
    • Kearsely, S.K.1    Smith, G.M.2
  • 18
    • 0027584612 scopus 로고
    • An exploration of a novel strategy for superimposing several flexible molecules
    • Perkins, T. D.; Deam, P. M. An exploration of a novel strategy for superimposing several flexible molecules. J. Comput.-Aided Mol. Design 1993, 7, 155-172.
    • (1993) J. Comput.-Aided Mol. Design , vol.7 , pp. 155-172
    • Perkins, T.D.1    Deam, P.M.2
  • 19
    • 0001650642 scopus 로고
    • A good ligand is hard to find: Automatic docking methods
    • Blaney, J. M.; Dixon, J. S. A good ligand is hard to find: Automatic docking methods. Perspect. Drug Disc. Design 1993, 1, 301-319.
    • (1993) Perspect. Drug Disc. Design , vol.1 , pp. 301-319
    • Blaney, J.M.1    Dixon, J.S.2
  • 20
  • 24
    • 0021871375 scopus 로고
    • A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
    • Goodford, P. J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 1985, 28, 849-857.
    • (1985) J. Med. Chem. , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 26
    • 84971372881 scopus 로고
    • Marching Cubes: A High Resolution 3-D Surface Construction Algorithm
    • Lorensen, W. E.; Cline, H. E. Marching Cubes: A High Resolution 3-D Surface Construction Algorithm. Comput. Graphics (Proc. SIGGRAPH, 21) 1987, 4, 163-169.
    • (1987) Comput. Graphics (Proc. SIGGRAPH, 21) , vol.4 , pp. 163-169
    • Lorensen, W.E.1    Cline, H.E.2
  • 27
    • 0025487752 scopus 로고
    • Triangulation algorithms for the representation of molecular surface properties
    • Heiden, W.; Schlenkrich, M.; Brickmann, J. Triangulation algorithms for the representation of molecular surface properties. J. Comput.-Aided Mol. Design 1990, 4, 225-269.
    • (1990) J. Comput.-Aided Mol. Design , vol.4 , pp. 225-269
    • Heiden, W.1    Schlenkrich, M.2    Brickmann, J.3
  • 30
    • 16044375105 scopus 로고
    • Crystal Structures of HIV-1 protease-inhibitor complexes
    • Appelt, K. Crystal Structures of HIV-1 protease-inhibitor complexes. Perspect. Drug Disc. Design 1993, 1, 23-48.
    • (1993) Perspect. Drug Disc. Design , vol.1 , pp. 23-48
    • Appelt, K.1
  • 31
    • 0001455589 scopus 로고
    • Quantitative structure- activity relationship of anthracycline antitumor activity and cardiac toxicity based upon intercalation calculations
    • Pullman, B., Ed.; Reidel: Dordrecht
    • Hopfinger, A. J.; Nakata, Y.; Max, N. Quantitative structure- activity relationship of anthracycline antitumor activity and cardiac toxicity based upon intercalation calculations. In Intermolecular Forces; Pullman, B., Ed.; Reidel: Dordrecht, 1981; p 431.
    • (1981) Intermolecular Forces , pp. 431
    • Hopfinger, A.J.1    Nakata, Y.2    Max, N.3
  • 32
    • 0026643884 scopus 로고
    • QSAR analysis of a set of benzothiopyranoindazole anti-cancer analogs based on their DNA intercalation properties as determined by molecular dynamics simulation
    • Hopfinger, A. J.; Kawakami, Y. QSAR analysis of a set of benzothiopyranoindazole anti-cancer analogs based on their DNA intercalation properties as determined by molecular dynamics simulation. Anti-Cancer Drug Design 1992, 7, 203-217.
    • (1992) Anti-Cancer Drug Design , vol.7 , pp. 203-217
    • Hopfinger, A.J.1    Kawakami, Y.2
  • 34
    • 9144240095 scopus 로고
    • DREIDING: A generic force field for molecular simulations
    • Mayo, S. L.; Olafson, B. D.; Goddard, W. A. DREIDING: A generic force field for molecular simulations. J. Phys. Chem. 1990, 94, 8897-8909.
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 35
    • 0024907515 scopus 로고
    • How accurate does a force field need to be?
    • Davies, K. E.; Murall, N. W. How accurate does a force field need to be? Comput. Chem. 1989, 13, 149-156.
    • (1989) Comput. Chem. , vol.13 , pp. 149-156
    • Davies, K.E.1    Murall, N.W.2
  • 36
    • 85022801569 scopus 로고    scopus 로고
    • Merck Molecular Force Field: I-IV
    • Submitted
    • Halgren, T. A. Merck Molecular Force Field: I-IV. J. Comput. Chem. Submitted.
    • J. Comput. Chem.
    • Halgren, T.A.1
  • 37
    • 84988053694 scopus 로고
    • An all atom force field for simulations of proteins and nucleic acids
    • Weiner, J.; Kollman, P. A.; Nguyen, T.; Case, A. An all atom force field for simulations of proteins and nucleic acids. J. Comput. Chem. 1986, 7, 230-252.
    • (1986) J. Comput. Chem. , vol.7 , pp. 230-252
    • Weiner, J.1    Kollman, P.A.2    Nguyen, T.3    Case, A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.