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Volumn 3, Issue , 2015, Pages 180-184

The quantum chemical causality of pMHC-TCR biological avidity: Peptide atomic coordination data and the electronic state of agonist N termini

Author keywords

Biochemistry; CD8+; Class I MHC; Cytotoxic Lymphocytes; Immunology; Materials Science; Protein protein interactions; Quantum Chemistry

Indexed keywords

CELL MEMBRANES; DENSITY FUNCTIONAL THEORY; DISTRIBUTION FUNCTIONS; ELECTRONIC STATES; METADATA; QUANTUM CHEMISTRY; QUANTUM THEORY; T-CELLS;

EID: 84926176306     PISSN: None     EISSN: 23523409     Source Type: Journal    
DOI: 10.1016/j.dib.2015.02.021     Document Type: DP
Times cited : (11)

References (10)
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  • 2
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    • Conversion of a T cell antagonist into an agonist by repairing a defect in the TCR/Peptide/MHC interface: implications for TCR signaling
    • Baker B.M., et al. Conversion of a T cell antagonist into an agonist by repairing a defect in the TCR/Peptide/MHC interface: implications for TCR signaling. Immunity 2000, 13:475-484.
    • (2000) Immunity , vol.13 , pp. 475-484
    • Baker, B.M.1
  • 3
    • 36749020560 scopus 로고    scopus 로고
    • The TCR binding site does move
    • Schamel W.W., Reth M. The TCR binding site does move. Proc. Natl. Acad. Sci. USA 2007, 104(42):16398-16399.
    • (2007) Proc. Natl. Acad. Sci. USA , vol.104 , Issue.42 , pp. 16398-16399
    • Schamel, W.W.1    Reth, M.2
  • 4
    • 84861808039 scopus 로고    scopus 로고
    • A containerless study of short-range order in high-temperature Fe-Si-Al-Ca-Mg-Cr-Cu-Ni oxide systems
    • Antipas G.S.E., et al. A containerless study of short-range order in high-temperature Fe-Si-Al-Ca-Mg-Cr-Cu-Ni oxide systems. J. Mol. Struct. 2012, 1019(0):151-158.
    • (2012) J. Mol. Struct. , vol.1019 , Issue.0 , pp. 151-158
    • Antipas, G.S.E.1
  • 5
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    • Amsterdam Density Functional program, Theoretical Chemistry
    • Vrije Universiteit, Amsterdam, (scm.com).
    • SCM, Amsterdam Density Functional program, Theoretical Chemistry, Vrije Universiteit, Amsterdam, (scm.com).
  • 6
    • 0032221816 scopus 로고    scopus 로고
    • Towards an order-N DFT method
    • Fonseca Guerra C., et al. Towards an order-N DFT method. Theor. Chem. Acc. 1998, 99(6):391-403.
    • (1998) Theor. Chem. Acc. , vol.99 , Issue.6 , pp. 391-403
    • Fonseca Guerra, C.1
  • 7
    • 20644438873 scopus 로고    scopus 로고
    • Chemistry with ADF
    • te Velde G., et al. Chemistry with ADF. J. Comput. Chem. 2001, 22(9):931-967.
    • (2001) J. Comput. Chem. , vol.22 , Issue.9 , pp. 931-967
    • te Velde, G.1
  • 8
    • 0346341238 scopus 로고    scopus 로고
    • Voronoi deformation density (VDD) charges: assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
    • Fonseca Guerra C., et al. Voronoi deformation density (VDD) charges: assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis. J. Comput. Chem. 2004, 25(2):189-210.
    • (2004) J. Comput. Chem. , vol.25 , Issue.2 , pp. 189-210
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  • 9
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    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38(6):3098-3100.
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  • 10
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    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37(2):785-789.
    • (1988) Phys. Rev. B , vol.37 , Issue.2 , pp. 785-789
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.