메뉴 건너뛰기




Volumn 39, Issue 2, 1999, Pages 224-230

Holographic electron density shape theorem and its role in drug design and toxicological risk assessment

Author keywords

[No Author keywords available]

Indexed keywords

POLYCYCLIC AROMATIC HYDROCARBON;

EID: 0033094163     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci980072y     Document Type: Article
Times cited : (49)

References (20)
  • 1
    • 0039332203 scopus 로고    scopus 로고
    • Information theory and electron density
    • Kolossváry, I. Information theory and electron density. J. Math. Chem. 1996, 19, 393-399.
    • (1996) J. Math. Chem. , vol.19 , pp. 393-399
    • Kolossváry, I.1
  • 3
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas. Phys. Rev. 1964, 136, B864-B871.
    • (1964) Phys. Rev. , vol.136
    • Hohenberg, P.1    Kohn, W.2
  • 4
    • 85047693416 scopus 로고
    • The theorem of Hohenberg and Kohn for subdomains of a quantum system
    • Riess, J.; Münch, W. The Theorem of Hohenberg and Kohn for Subdomains of a Quantum System. Theor. Chim. Acta 1981, 58, 295-300.
    • (1981) Theor. Chim. Acta , vol.58 , pp. 295-300
    • Riess, J.1    Münch, W.2
  • 5
    • 85034142476 scopus 로고    scopus 로고
    • The holographic electron density theorem and quantum similarity measures
    • accepted for publication
    • Mezey, P. G. The Holographic Electron Density Theorem and Quantum Similarity Measures, accepted for publication in Mol. Phys.
    • Mol. Phys.
    • Mezey, P.G.1
  • 8
    • 5844335396 scopus 로고    scopus 로고
    • Functional groups in quantum chemistry
    • Mezey, P. G. Functional Groups in Quantum Chemistry. Adv. Quantum Chem. 1996, 27, 163-222.
    • (1996) Adv. Quantum Chem. , vol.27 , pp. 163-222
    • Mezey, P.G.1
  • 9
    • 0028321320 scopus 로고
    • Ab initio quality electron densities for proteins: A MEDLA approach
    • Walker, P. D.; Mezey, P. G. Ab initio Quality Electron Densities for Proteins: A MEDLA Approach. J. Am. Chem. Soc. 1994, 116, 12022-12032.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 12022-12032
    • Walker, P.D.1    Mezey, P.G.2
  • 10
    • 21844508739 scopus 로고
    • A new computational microscope for molecules: High-resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods
    • Walker, P. D.; Mezey, P. G. A New Computational Microscope for Molecules: High-Resolution MEDLA Images of Taxol and HIV-1 Protease, Using Additive Electron Density Fragmentation Principles and Fuzzy Set Methods. J. Math. Chem. 1995, 17, 203-234.
    • (1995) J. Math. Chem. , vol.17 , pp. 203-234
    • Walker, P.D.1    Mezey, P.G.2
  • 11
    • 21844503595 scopus 로고
    • Macromolecular density matrixes and electron densities with adjustable nuclear geometries
    • Mezey, P. G. Macromolecular Density Matrixes and Electron Densities with Adjustable Nuclear Geometries. J. Math. Chem. 1995, 18, 141-168.
    • (1995) J. Math. Chem. , vol.18 , pp. 141-168
    • Mezey, P.G.1
  • 12
    • 0002057915 scopus 로고    scopus 로고
    • Quantum similarity measures and löwdin's transform for approximate density matrixes and macromolecular forces
    • Mezey, P. G. Quantum Similarity Measures and Löwdin's Transform for Approximate Density Matrixes and Macromolecular Forces. Int. J. Quantum Chem. 1997, 63, 39-48.
    • (1997) Int. J. Quantum Chem. , vol.63 , pp. 39-48
    • Mezey, P.G.1
  • 13
    • 0002922422 scopus 로고    scopus 로고
    • Computational microscopy: Pictures of proteins
    • Mezey, P. G. Computational Microscopy: Pictures of Proteins. Pharm. News 1997, 4, 29-34.
    • (1997) Pharm. News , vol.4 , pp. 29-34
    • Mezey, P.G.1
  • 14
    • 0001514556 scopus 로고
    • Shape group analysis of molecular similarity: Shape similarity of six-membered aromatic ring systems
    • Walker, P. D.; Maggiora, G. M.; Johnson, M. A.; Petke, J. D.; Mezey, P. G.Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems, J. Chem. Inf. Comput. Sci. 1995, 35, 568-578.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 568-578
    • Walker, P.D.1    Maggiora, G.M.2    Johnson, M.A.3    Petke, J.D.4    Mezey, P.G.5
  • 16
    • 85103046806 scopus 로고    scopus 로고
    • Molecular structure - Reactivity - Toxicity relationships
    • Huang, P. M., Ed.; SSSA: Pittsburgh, PA
    • Mezey, P. G. Molecular Structure - Reactivity - Toxicity Relationships. In Soil Chemistry and Ecosystem Health; Huang, P. M., Ed.; SSSA: Pittsburgh, PA, 1998; pp 21-43.
    • (1998) Soil Chemistry and Ecosystem Health , pp. 21-43
    • Mezey, P.G.1
  • 18
    • 0041174216 scopus 로고    scopus 로고
    • Molecular similarity and host-guest interactions
    • Maksic, Z.; Orville-Thomas, W. J., Eds.; Elsevier Science: Amsterdam, in press
    • Mezey, P. G. Molecular Similarity and Host-Guest Interactions. In Pauling's Legacy: Modern Modelling of Chemical Bonding; Maksic, Z.; Orville-Thomas, W. J., Eds.; Elsevier Science: Amsterdam, 1998 (in press).
    • (1998) Pauling's Legacy: Modern Modelling of Chemical Bonding
    • Mezey, P.G.1
  • 19
    • 0039395008 scopus 로고    scopus 로고
    • Chemical bonding in proteins and other macromolecules
    • Maksic, Z.; Orville-Thomas, W. J., Eds.; Elsevier Science: Amsterdam, (in press)
    • Mezey, P. G. Chemical Bonding in Proteins and Other Macromolecules. In Pauling's Legacy: Modern Modelling of Chemical Bonding, Maksic, Z.; Orville-Thomas, W. J., Eds.; Elsevier Science: Amsterdam, 1998 (in press).
    • (1998) Pauling's Legacy: Modern Modelling of Chemical Bonding
    • Mezey, P.G.1
  • 20
    • 0032393952 scopus 로고    scopus 로고
    • Generalized chirality and symmetry deficiency
    • Mezey, P. G. Generalized Chirality and Symmetry Deficiency. J. Math. Chem. 1998, 23, 65-84.
    • (1998) J. Math. Chem. , vol.23 , pp. 65-84
    • Mezey, P.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.