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Volumn 3, Issue 1, 2011, Pages

PubChem3D: Diversity of shape

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EID: 79954461942     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-3-9     Document Type: Article
Times cited : (16)

References (20)
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  • 3
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    • 10.1021/ci100263p. 21090728
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    • (2010) J Chem Inf Model , vol.50 , pp. 2079-2093
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  • 4
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    • Multiple protein structures and multiple ligands: Effects on the apparent goodness of virtual screening results
    • 10.1007/s10822-008-9168-9. 18273559
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  • 5
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    • Virtual screening: An endless staircase?
    • 10.1038/nrd3139
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  • 8
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    • DOI 10.1021/jm0603365
    • Comparison of shape-matching and docking as virtual screening tools. PCD Hawkins AG Skillman A Nicholls, J Med Chem 2007 50 74 82 10.1021/jm0603365 17201411 (Pubitemid 46105500)
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  • 9
    • 0000747830 scopus 로고
    • A gaussian description of molecular shape
    • 10.1021/j100011a016
    • A gaussian description of molecular shape. JA Grant BT Pickup, J Phys Chem 1995 99 3503 3510 10.1021/j100011a016
    • (1995) J Phys Chem , vol.99 , pp. 3503-3510
    • Grant, J.A.1    Pickup, B.T.2
  • 10
    • 0001109246 scopus 로고    scopus 로고
    • A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
    • A fast method of molecular shape comparison: a simple application of a Gaussian description of molecular shape. JA Grant MA Gallardo BT Pickup, J Comput Chem 1996 17 1653 1666 10.1002/(SICI)1096-987X(19961115)17:14<1653:: AID-JCC73.0.CO;2-K (Pubitemid 126535414)
    • (1996) Journal of Computational Chemistry , vol.17 , Issue.14 , pp. 1653-1666
    • Grant, J.A.1    Gallardo, M.A.2    Pickup, B.T.3
  • 11
    • 0342277640 scopus 로고    scopus 로고
    • Gaussian shape methods
    • Dordrecht: Kluwer Academic Publishers van Gunsteren WF, Weiner PK, Wilkinson AJ
    • Gaussian shape methods. JA Grant BT Pickup, Computer Simulation of Biomolecular Systems Dordrecht: Kluwer Academic Publishers, van Gunsteren WF, Weiner PK, Wilkinson AJ, 1997 150 176
    • (1997) Computer Simulation of Biomolecular Systems , pp. 150-176
    • Grant, J.A.1    Pickup, B.T.2
  • 14
    • 34347332174 scopus 로고    scopus 로고
    • Fast 3D shape screening of large chemical databases through alignment-recycling
    • 10.1186/1752-153X-1-12. 17880744
    • Fast 3D shape screening of large chemical databases through alignment-recycling. F Fontaine E Bolton Y Borodina SH Bryant, Chem Cent J 2007 1 12 10.1186/1752-153X-1-12 17880744
    • (2007) Chem Cent J , vol.1 , pp. 12
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    • PubChem: Integrated platform of small molecules and biological activities
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  • 17
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    • 10.1093/nar/gkp456. 19498078
    • PubChem: a public information system for analyzing bioactivities of small molecules. YL Wang JW Xiao TO Suzek J Zhang JY Wang SH Bryant, Nucleic Acids Res 2009 37 623 W633 10.1093/nar/gkp456 19498078
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    • Wang, Y.L.1    Xiao, J.W.2    Suzek, T.O.3    Zhang, J.4    Wang, J.Y.5    Bryant, S.H.6
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.