메뉴 건너뛰기




Volumn 31, Issue 8, 2015, Pages 1274-1278

The chemical component dictionary: Complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; MACROMOLECULE;

EID: 84927774990     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btu789     Document Type: Article
Times cited : (119)

References (22)
  • 1
    • 84927780776 scopus 로고    scopus 로고
    • Advanced Chemistry Development I.
    • Advanced Chemistry Development, I. (2007) ACD/Name Batch, version 9. 0.
    • (2007) ACD/Name Batch, Version 9.0
  • 2
    • 0033954256 scopus 로고    scopus 로고
    • The protein data bank
    • Berman, H. M. et al. (2000) The protein data bank. Nucleic Acids Res., 28, 235-242.
    • (2000) Nucleic Acids Res. , vol.28 , pp. 235-242
    • Berman, H.M.1
  • 3
    • 0345059376 scopus 로고    scopus 로고
    • Announcing the worldwide protein data bank
    • Berman, H. M. et al. (2003) Announcing the worldwide protein data bank. Nat. Struct. Biol., 10, 980.
    • (2003) Nat. Struct. Biol. , vol.10 , pp. 980
    • Berman, H.M.1
  • 4
    • 0347296066 scopus 로고    scopus 로고
    • Assessing the performance of OMEGA with respect to retrieving bioactive conformations
    • Bostrom, J. et al. (2003) Assessing the performance of OMEGA with respect to retrieving bioactive conformations. J. Mol. Graph Model, 21, 449-462.
    • (2003) J. Mol. Graph Model , vol.21 , pp. 449-462
    • Bostrom, J.1
  • 5
    • 84981828672 scopus 로고
    • Specification of molecular chirality
    • Cahn, R. S. et al. (1966) Specification of molecular chirality. Angew. Chem. Int. Edition, 5, 385-415.
    • (1966) Angew. Chem. Int. Edition , vol.5 , pp. 385-415
    • Cahn, R.S.1
  • 6
    • 4644303571 scopus 로고    scopus 로고
    • A (sub)graph isomorphism algorithm for matching large graphs
    • Cordella, L. P. F. et al. (2004) A (sub)graph isomorphism algorithm for matching large graphs. IEEE Trans. Pattern Anal. Mach. Intell., 26, 1367-1372.
    • (2004) IEEE Trans. Pattern Anal. Mach. Intell. , vol.26 , pp. 1367-1372
    • Cordella, L.P.F.1
  • 7
    • 34548719089 scopus 로고    scopus 로고
    • 3. 6 classification and use of macromolecular data
    • Hall, S. R. and McMahon, B. (eds. ) Springer: Dordrecht, The Netherlands
    • Fitzgerald, P. M. D. et al. (2005) 3. 6 classification and use of macromolecular data. In: Hall, S. R. and McMahon, B. (eds. ) International Tables for Crystallography. Springer: Dordrecht, The Netherlands, pp. 144-198.
    • (2005) International Tables for Crystallography , pp. 144-198
    • Fitzgerald, P.M.D.1
  • 8
    • 84891774970 scopus 로고    scopus 로고
    • PDBe: Protein data bank in Europe
    • Gutmanas, A. et al. (2014) PDBe: protein data bank in Europe. Nucleic Acids Res., 42, D285-D291.
    • (2014) Nucleic Acids Res. , vol.42 , pp. D285-D291
    • Gutmanas, A.1
  • 9
    • 84876725194 scopus 로고    scopus 로고
    • InChI: The worldwide chemical structure identifier standard
    • Heller, S. et al. (2013) InChI: the worldwide chemical structure identifier standard. J Cheminform., 5, 7.
    • (2013) J Cheminform. , vol.5 , pp. 7
    • Heller, S.1
  • 10
    • 38549176153 scopus 로고    scopus 로고
    • Remediation of the protein data bank archive
    • Henrick, K. et al. (2008) Remediation of the protein data bank archive. Nucleic Acids Res., 36, D426-D433.
    • (2008) Nucleic Acids Res. , vol.36 , pp. D426-D433
    • Henrick, K.1
  • 11
    • 33947340020 scopus 로고
    • On a system of indexing chemical literature; Adopted by the classification division of the U. S. Patent office
    • Hill, E. A. (1900) On a system of indexing chemical literature; adopted by the classification division of the U. S. patent office. J. Am. Chem. Soc., 22, 478-494.
    • (1900) J. Am. Chem. Soc. , vol.22 , pp. 478-494
    • Hill, E.A.1
  • 12
    • 0011928272 scopus 로고
    • CACTVS: A chemistry algorithm development environment
    • Machida, K. and Nishioka, T. (eds. ) Kyoto University Press Kyoto
    • Ihlenfeldt, W. D. et al. (1992) CACTVS: a chemistry algorithm development environment. In: Machida, K. and Nishioka, T. (eds. ) Daijuukagakutouronkai Dainijuukai Kouzoukasseisoukan Shinpojiumu Kouenyoushishuu. Kyoto University Press, Kyoto, pp. 102-105.
    • (1992) Daijuukagakutouronkai Dainijuukai Kouzoukasseisoukan Shinpojiumu Kouenyoushishuu , pp. 102-105
    • Ihlenfeldt, W.D.1
  • 13
    • 84916779092 scopus 로고
    • Stereochemical definitions and notations relating to polymers
    • IUPAC Commission on Macromolecular Nomenclature.
    • IUPAC Commission on Macromolecular Nomenclature. (1979) Stereochemical definitions and notations relating to polymers. Pure Appl. Chem., 51, 1101-1121.
    • (1979) Pure Appl. Chem. , vol.51 , pp. 1101-1121
  • 14
    • 84862238809 scopus 로고    scopus 로고
    • Protein data bank Japan (PDBj): Maintaining a structural data archive and resource description framework format
    • Kinjo, A. R. et al. (2012) Protein data bank Japan (PDBj): maintaining a structural data archive and resource description framework format. Nucleic Acids Res., 40, D453-D460.
    • (2012) Nucleic Acids Res. , vol.40 , pp. D453-D460
    • Kinjo, A.R.1
  • 15
    • 41149116500 scopus 로고    scopus 로고
    • BioMagResBank (BMRB) as a partner in the worldwide protein data bank (wwPDB): New policies affecting biomolecular NMR depositions
    • Markley, J. L. et al. (2008) BioMagResBank (BMRB) as a partner in the worldwide protein data bank (wwPDB): new policies affecting biomolecular NMR depositions. J. Biomol. NMR, 40, 153-155.
    • (2008) J. Biomol. NMR , vol.40 , pp. 153-155
    • Markley, J.L.1
  • 16
    • 80053512597 scopus 로고    scopus 로고
    • Open babel: An open chemical toolbox
    • O'Boyle, N. M. et al. (2011) Open babel: an open chemical toolbox. J. Cheminform., 3, 33.
    • (2011) J. Cheminform. , vol.3 , pp. 33
    • O'Boyle, N.M.1
  • 17
    • 84927752792 scopus 로고    scopus 로고
    • OpenEye Scientific Software Inc.
    • OpenEye Scientific Software Inc. (2007) OpenEye OEChem, version 1. 5.
    • (2007) Open Eye OEChem, Version 1.5
  • 18
    • 33751158475 scopus 로고
    • Comparison of automatic three-dimensional model builders using 639 X-ray structures
    • Sadowski, J. and Gasteiger, J. (1994) Comparison of automatic three-dimensional model builders using 639 X-ray structures. J. Chem. Inj. Comput. Sci., 34, 1000-1008.
    • (1994) J. Chem. Inj. Comput. Sci. , vol.34 , pp. 1000-1008
    • Sadowski, J.1    Gasteiger, J.2
  • 19
    • 20444410051 scopus 로고    scopus 로고
    • Database clustering with a combination of fingerprint and maximum common substructure methods
    • Stahl, M. and Mauser, H. (2005) Database clustering with a combination of fingerprint and maximum common substructure methods. J. Chem. Inf. Model, 45, 449-462.
    • (2005) J. Chem. Inf. Model , vol.45 , pp. 449-462
    • Stahl, M.1    Mauser, H.2
  • 20
    • 0023965741 scopus 로고
    • SMILES 1: Introduction and encoding rules
    • Weininger, D. (1988) SMILES 1: introduction and encoding rules. J. Chem. Inf. Comput. Sci., 28, 31.
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31
    • Weininger, D.1
  • 21
    • 33746986976 scopus 로고    scopus 로고
    • 3. 6. 2 the protein data bank exchange data dictionary
    • Hall, S. R. and McMahon, B. (eds. ) Springer, Dordrecht, The Netherlands
    • Westbrook, J. et al. (2005) 3. 6. 2 the protein data bank exchange data dictionary. In: Hall, S. R. and McMahon, B. (eds. ) International Tables for Crystallography. Springer, Dordrecht, The Netherlands, pp. 195-198.
    • (2005) International Tables for Crystallography , pp. 195-198
    • Westbrook, J.1
  • 22
    • 84892695747 scopus 로고    scopus 로고
    • Chemical annotation of small and peptide-like molecules at the protein data bank
    • Young, J. Y. et al. (2013) Chemical annotation of small and peptide-like molecules at the protein data bank. Database, 2013,079.
    • (2013) Database , vol.2013 , pp. 079
    • Young, J.Y.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.