메뉴 건너뛰기




Volumn 15, Issue 3, 1999, Pages 243-250

Docking of hydrophobic ligands with interaction-based matching algorithms

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN;

EID: 0032950520     PISSN: 13674803     EISSN: 13674811     Source Type: Journal    
DOI: 10.1093/bioinformatics/15.3.243     Document Type: Conference Paper
Times cited : (79)

References (17)
  • 2
    • 0001650642 scopus 로고
    • A good ligand is hard to find: Automated docking methods
    • Blaney, J.M. and Dixon, J.S. (1993) A good ligand is hard to find: Automated docking methods. Perspect. Drug Discov. Des., 1, 301-319.
    • (1993) Perspect. Drug Discov. Des. , vol.1 , pp. 301-319
    • Blaney, J.M.1    Dixon, J.S.2
  • 3
    • 0026813925 scopus 로고
    • The computer program LUDI: A new method for the de novo design of enzyme inhibitors
    • Böhm, H.-J. (1992a) The computer program LUDI: A new method for the de novo design of enzyme inhibitors. J. Comput. Aided Mol. Des., 6, 61-78.
    • (1992) J. Comput. Aided Mol. Des. , vol.6 , pp. 61-78
    • Böhm, H.-J.1
  • 4
    • 0027027467 scopus 로고
    • LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads
    • Böhm, H.-J. (1992b) LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads. J. Comput. Aided Mol. Des., 6, 593-606.
    • (1992) J. Comput. Aided Mol. Des. , vol.6 , pp. 593-606
    • Böhm, H.-J.1
  • 6
    • 0027942499 scopus 로고
    • Software for structure-based drug design
    • Guida, W.C. (1994) Software for structure-based drug design. Curr. Opin. Struct. Biol., 4, 777-781.
    • (1994) Curr. Opin. Struct. Biol. , vol.4 , pp. 777-781
    • Guida, W.C.1
  • 7
    • 0028854034 scopus 로고
    • Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
    • Jones, G., Willett, P. and Glen, R.C. (1995) Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J. Mol Biol., 245, 43-53.
    • (1995) J. Mol Biol. , vol.245 , pp. 43-53
    • Jones, G.1    Willett, P.2    Glen, R.C.3
  • 8
    • 0031552362 scopus 로고    scopus 로고
    • Development and validation of a genetic algorithm for flexible docking
    • Jones, G., Willett, P., Glen, R.C., Leach, A.R. and Taylor, R. (1997) Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol., 267, 727-748.
    • (1997) J. Mol. Biol. , vol.267 , pp. 727-748
    • Jones, G.1    Willett, P.2    Glen, R.C.3    Leach, A.R.4    Taylor, R.5
  • 9
    • 0028522365 scopus 로고
    • A fast and efficient method to generate biologically relevant conformations
    • Klebe, G. and Mietzner, T. (1994) A fast and efficient method to generate biologically relevant conformations. J. Comput. Aided Mol. Des., 8, 583-606.
    • (1994) J. Comput. Aided Mol. Des. , vol.8 , pp. 583-606
    • Klebe, G.1    Mietzner, T.2
  • 11
    • 0026730489 scopus 로고
    • Structure-based strategies for drug design and discovery
    • Kuntz, I.D. (1992) Structure-based strategies for drug design and discovery. Science, 257, 1078-1082.
    • (1992) Science , vol.257 , pp. 1078-1082
    • Kuntz, I.D.1
  • 12
    • 0029902763 scopus 로고    scopus 로고
    • Computational methods for biomolecular docking
    • Lengauer, T. and Rarey, M. (1996) Computational methods for biomolecular docking. Curr. Opin. Struct. Biol., 6, 402-406.
    • (1996) Curr. Opin. Struct. Biol. , vol.6 , pp. 402-406
    • Lengauer, T.1    Rarey, M.2
  • 13
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • Rarey, M., Kramer, B., Lengauer, T. and Klebe, G. (1996a) A fast flexible docking method using an incremental construction algorithm. J. Mol. Biol., 261, 470-489.
    • (1996) J. Mol. Biol. , vol.261 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 14
    • 0030076041 scopus 로고    scopus 로고
    • Placement of medium-sized molecular fragments into active sites of proteins
    • Rarey, M., Wefing, S. and Lengauer, T. (1996b) Placement of medium-sized molecular fragments into active sites of proteins. J. Comput. Aided Mol. Des., 10, 41-54.
    • (1996) J. Comput. Aided Mol. Des. , vol.10 , pp. 41-54
    • Rarey, M.1    Wefing, S.2    Lengauer, T.3
  • 15
    • 0031181870 scopus 로고    scopus 로고
    • Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention
    • Rarey, M., Kramer, B. and Lengauer, T. (1997) Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention. J. Comput. Aided Mol. Des., 11, 369-384.
    • (1997) J. Comput. Aided Mol. Des. , vol.11 , pp. 369-384
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3
  • 17
    • 0030154893 scopus 로고    scopus 로고
    • Hammerhead: Fast, fully automated docking of flexible ligands to protein binding sites
    • Welch, W., Ruppert, J. and Jain, A.N. (1996) Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites. Chem. Biol., 3, 449-462.
    • (1996) Chem. Biol. , vol.3 , pp. 449-462
    • Welch, W.1    Ruppert, J.2    Jain, A.N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.