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Volumn 39, Issue 3, 1999, Pages 594-600

Alignment of 3D-structures by the method of 2D-projections

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001653458     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9803379     Document Type: Article
Times cited : (11)

References (18)
  • 1
    • 0011119190 scopus 로고
    • Structural alignment of molecules
    • Kubinyi, H., Ed; ESCOM Science Publishers: Leiden, The Netherlands
    • Klebe, G. Structural Alignment of Molecules. In 3D-QSAR in Drug Design. Theory, Methods and Applications; Kubinyi, H., Ed; ESCOM Science Publishers: Leiden, The Netherlands, 1993; pp 173-199.
    • (1993) 3D-QSAR in Drug Design. Theory, Methods and Applications , pp. 173-199
    • Klebe, G.1
  • 2
    • 0002831330 scopus 로고    scopus 로고
    • Recent techniques and applications in pharmacophore mapping
    • Chariforn, P. S., Ed.; Marcel Dekker: New York
    • Bures, M. G. Recent techniques and applications in pharmacophore mapping. In Practical Applications of Computer Aided Drug Design; Chariforn, P. S., Ed.; Marcel Dekker: New York, 1997; pp 39-72.
    • (1997) Practical Applications of Computer Aided Drug Design , pp. 39-72
    • Bures, M.G.1
  • 3
    • 0001319771 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA)
    • Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow
    • Kim, K. H. Comparative Molecular Field Analysis (CoMFA). In Molecular Similarity in Drug Design; Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow, 1995; pp 291-331.
    • (1995) Molecular Similarity in Drug Design , pp. 291-331
    • Kim, K.H.1
  • 4
    • 44949267284 scopus 로고
    • An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
    • Kearsley, 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
    • Kearsley, S.K.1    Smith, G.M.2
  • 5
    • 0001109246 scopus 로고    scopus 로고
    • A fast method of molecular shape comparison: A simple application of a gaussian description of molecular shape
    • Grant, J. A.; Gallardo, M. A.; Pickup, B. J. A Fast Method of Molecular Shape Comparison: A Simple Application of a Gaussian Description of Molecular Shape. J. Comput. Chem. 1996, 17, 1653-1666.
    • (1996) J. Comput. Chem. , vol.17 , pp. 1653-1666
    • Grant, J.A.1    Gallardo, M.A.2    Pickup, B.J.3
  • 6
    • 0001677264 scopus 로고    scopus 로고
    • Alignment of molecules by the monte carlo optimization of molecular similarity indices
    • Parretti, M. F.; Kroemer, R. T.; Rothman, J. H.; Richards, W. G. Alignment of Molecules by the Monte Carlo Optimization of Molecular Similarity Indices. J. Comput. Chem. 1997, 18, 1344-1353.
    • (1997) J. Comput. Chem. , vol.18 , pp. 1344-1353
    • Parretti, M.F.1    Kroemer, R.T.2    Rothman, J.H.3    Richards, W.G.4
  • 7
    • 5244265804 scopus 로고    scopus 로고
    • Three-dimensional shape-based searching of conformationally flexible compounds
    • Hahn, M. Three-dimensional shape-based searching of conformationally flexible compounds. J. Chem. Inf. Comput. Sci. 1997, 37, 80-86.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 80-86
    • Hahn, M.1
  • 8
    • 0029440003 scopus 로고
    • Molecular surface-volume and property matching to superpose flexible dissimilar molecules
    • Perkins, T. D. J.; Mills, J. E. J.; Dean, P. M. Molecular Surface-Volume and Property Matching to Superpose Flexible Dissimilar Molecules. J. Comput. Aided. Mol. Des. 1995, 9, 479-490.
    • (1995) J. Comput. Aided. Mol. Des. , vol.9 , pp. 479-490
    • Perkins, T.D.J.1    Mills, J.E.J.2    Dean, P.M.3
  • 9
    • 0029444383 scopus 로고
    • A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
    • Jones, G.; Willet, P.; Glen, R. C. A Genetic Algorithm for Flexible Molecular Overlay and Pharmacophore Elucidation. J. Comput. Aided. Mol. Des. 1995, 9, 532-549.
    • (1995) J. Comput. Aided. Mol. Des. , vol.9 , pp. 532-549
    • Jones, G.1    Willet, P.2    Glen, R.C.3
  • 10
    • 0032488013 scopus 로고    scopus 로고
    • FlexS: A method for fast flexible ligand superposition
    • Lemmen, C.; Lengauer, T.; Klebe, G. FlexS: A Method for Fast flexible Ligand Superposition. J. Med. Chem. 1998, 41, 4502-4520.
    • (1998) J. Med. Chem. , vol.41 , pp. 4502-4520
    • Lemmen, C.1    Lengauer, T.2    Klebe, G.3
  • 15
    • 0031231724 scopus 로고    scopus 로고
    • The utilization of reduced dimensional representations of molecular structure for rapid similarity calculations
    • Robinson, D. D. Barlow, T. W. Richards, W. G. The Utilization of Reduced Dimensional Representations of Molecular Structure for Rapid Similarity Calculations. J. Chem. Inf. Comput. Sci. 1997, 37, 943-50.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 943-950
    • Robinson, D.D.1    Barlow, T.W.2    Richards, W.G.3
  • 16
    • 84937655864 scopus 로고
    • Visual pattern recognition by moment invariants
    • Hu, M. K. Visual Pattern Recognition by Moment Invariants. I.R.E. Trans. Information Theory 1962, 179-187.
    • (1962) I.R.E. Trans. Information Theory , pp. 179-187
    • Hu, M.K.1
  • 17
    • 85034133281 scopus 로고    scopus 로고
    • note
    • Microsoft Corporation. One Microsoft Way, Redmond, WA 98052-5234.
  • 18
    • 85034130091 scopus 로고    scopus 로고
    • note
    • The software can be made available via ftp to interested parties.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.