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Volumn 48, Issue 3, 2008, Pages 669-678

Cross-docking of inhibitors into CDK2 structures. 2

Author keywords

[No Author keywords available]

Indexed keywords

DOCKING; ENZYME INHIBITION;

EID: 42149098914     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700428d     Document Type: Article
Times cited : (13)

References (18)
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    • Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps
    • and references therein
    • Leach, A. R.; Shoichet, B. K.; Peishoff, C. E. Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps. J. Med. Chem. 2006, 49, 5851-5855, and references therein.
    • (2006) J. Med. Chem , vol.49 , pp. 5851-5855
    • Leach, A.R.1    Shoichet, B.K.2    Peishoff, C.E.3
  • 2
    • 1442351132 scopus 로고    scopus 로고
    • Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases
    • Cavasotto, C. N.; Abagyan, R. A. Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases. J. Mol. Biol. 2004, 337, 209-225.
    • (2004) J. Mol. Biol , vol.337 , pp. 209-225
    • Cavasotto, C.N.1    Abagyan, R.A.2
  • 7
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    • Tripos International, St. Louis, MO 63144, U.S.A
    • Tripos International, 1699 South Hanley Rd., St. Louis, MO 63144, U.S.A.
    • (1699) South Hanley Rd
  • 8
    • 0028854034 scopus 로고
    • Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
    • Jones, G.; Willett, P.; Glen, R. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J. Mol. Biol. 1995, 245, 43-53.
    • (1995) J. Mol. Biol , vol.245 , pp. 43-53
    • Jones, G.1    Willett, P.2    Glen, R.3
  • 9
    • 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.; Taylor, R. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 1997, 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
  • 10
    • 0028336046 scopus 로고
    • Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
    • Ihlenfeldt, W. D.; Takahashi, Y.; Abe, H.; Sasaki, S. Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility. J. Chem. Inf. Comput. Sci. 1994, 34, 109-116.
    • (1994) J. Chem. Inf. Comput. Sci , vol.34 , pp. 109-116
    • Ihlenfeldt, W.D.1    Takahashi, Y.2    Abe, H.3    Sasaki, S.4
  • 11
    • 33749260698 scopus 로고    scopus 로고
    • A critical assessment of docking programs and scoring functions
    • Warren, G. L.; Andrews, C. W.; Capelli, A. M.; Clarke, B.; LaLonde, J. et al. A critical assessment of docking programs and scoring functions. J. Med. Chem. 2006, 49, 5912-5931.
    • (2006) J. Med. Chem , vol.49 , pp. 5912-5931
    • Warren, G.L.1    Andrews, C.W.2    Capelli, A.M.3    Clarke, B.4    LaLonde, J.5
  • 12
    • 12144289984 scopus 로고    scopus 로고
    • Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
    • (a) Friesner, R. A.; Banks, J. L.; Murphy, R. B.; Halgren, T. A.; Klicic, J. J. et al. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J. Med. Chem. 2004, 47, 1739-1749.
    • (2004) J. Med. Chem , vol.47 , pp. 1739-1749
    • Friesner, R.A.1    Banks, J.L.2    Murphy, R.B.3    Halgren, T.A.4    Klicic, J.J.5
  • 13
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    • Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
    • (b) Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R. et al. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. J. Med. Chem. 2006, 49, 6177-6196.
    • (2006) J. Med. Chem , vol.49 , pp. 6177-6196
    • Friesner, R.A.1    Murphy, R.B.2    Repasky, M.P.3    Frye, L.L.4    Greenwood, J.R.5
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    • Matsumoto, M.; Nishimura, T. Mersenne Twister: A 623-Dimensionally Equid-istributed Uniform Pseudo-Random Number Generator. ACM Trans. Model. Comput. Simul. (TOMACS) 1998, 8, 3-30.
    • (b) Matsumoto, M.; Nishimura, T. Mersenne Twister: A 623-Dimensionally Equid-istributed Uniform Pseudo-Random Number Generator. ACM Trans. Model. Comput. Simul. (TOMACS) 1998, 8, 3-30.
  • 18
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    • All histograms are centered, which means, e.g, a bin labeled with 10% contains items from 5-15
    • All histograms are centered, which means, e.g., a bin labeled with 10% contains items from 5-15%.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.