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Volumn 134, Issue 20, 2011, Pages

Protein's electronic polarization contributes significantly to its catalytic function

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CATALYTIC FUNCTIONS; ELECTRONIC POLARIZATION; ENZYME CATALYSIS; FREE-ENERGY SIMULATION; MECHANICAL METHODS; PROTON TRANSFER REACTIONS; QUANTITATIVE AGREEMENT; SIMULATION RESULT; TRIOSEPHOSPHATE ISOMERASE;

EID: 79958083942     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3592987     Document Type: Article
Times cited : (17)

References (32)
  • 1
    • 0017100947 scopus 로고
    • 10.1016/0022-2836(76)90311-9
    • A. Warshel and M. Levitt, J. Mol. Biol. 103, 227 (1976). 10.1016/0022-2836(76)90311-9
    • (1976) J. Mol. Biol. , vol.103 , pp. 227
    • Warshel, A.1    Levitt, M.2
  • 4
    • 43949083733 scopus 로고    scopus 로고
    • Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods
    • DOI 10.1146/annurev.physchem.59.032607.093618
    • H. Hu and W. T. Yang, Ann. Rev. Phys. Chem. 59, 573 (2008). 10.1146/annurev.physchem.59.032607.093618 (Pubitemid 351703398)
    • (2008) Annual Review of Physical Chemistry , vol.59 , pp. 573-601
    • Hu, H.1    Yang, W.2
  • 7
    • 38949210653 scopus 로고    scopus 로고
    • Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping
    • DOI 10.1021/jp076931f
    • Y. Xiang and A. Warshel, J. Phys. Chem. B 112, 1007 (2008). 10.1021/jp076931f (Pubitemid 351212543)
    • (2008) Journal of Physical Chemistry B , vol.112 , Issue.3 , pp. 1007-1015
    • Xiang, Y.1    Warshel, A.2
  • 8
    • 21244497608 scopus 로고    scopus 로고
    • Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis
    • DOI 10.1146/annurev.physchem.55.091602.094410
    • R. A. Friesner and V. Guallar, Ann. Rev. Phys. Chem. 56, 389 (2005). 10.1146/annurev.physchem.55.091602.094410 (Pubitemid 41156883)
    • (2005) Annual Review of Physical Chemistry , vol.56 , pp. 389-427
    • Friesner, R.A.1    Guallar, V.2
  • 11
    • 85051912728 scopus 로고    scopus 로고
    • Quantum mechanical free energy barrier for an enzymatic reaction
    • DOI 10.1103/PhysRevLett.94.138302, 138302
    • T. H. Rod and U. Ryde, Phys. Rev. Lett. 94, 138302 (2005). 10.1103/PhysRevLett.94.138302 (Pubitemid 40620520)
    • (2005) Physical Review Letters , vol.94 , Issue.13 , pp. 1-4
    • Rod, T.H.1    Ryde, U.2
  • 12
    • 51049101330 scopus 로고    scopus 로고
    • 10.1529/biophysj.108.131110
    • C. Ji, Y. Mei, and J. Z. H. Zhang, Biophys. J. 95, 1080 (2008). 10.1529/biophysj.108.131110
    • (2008) Biophys. J. , vol.95 , pp. 1080
    • Ji, C.1    Mei, Y.2    Zhang, J.Z.H.3
  • 13
    • 0017040058 scopus 로고
    • Free energy profile for the reaction catalyzed by triosephosphate isomerase
    • DOI 10.1021/bi00670a031
    • W. J. Albery and J. R. Knowles, Biochemistry 15, 5627 (1976). 10.1021/bi00670a031 (Pubitemid 8004279)
    • (1976) Biochemistry , vol.15 , Issue.25 , pp. 5627-5631
    • Albery, W.J.1    Knowles, J.R.2
  • 18
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 22
  • 24
    • 33947547892 scopus 로고
    • 10.1021/cen-v024n010.p1375
    • L. Pauling, Chem. Eng. News 24, 1375 (1946). 10.1021/cen-v024n010.p1375
    • (1946) Chem. Eng. News , vol.24 , pp. 1375
    • Pauling, L.1
  • 26
    • 0346726109 scopus 로고    scopus 로고
    • How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations
    • DOI 10.1126/science.1088172
    • M. Garcia-Viloca, J. Gao, M. Karplus, and D. G. Truhlar, Science 303, 186 (2004). 10.1126/science.1088172 (Pubitemid 38057561)
    • (2004) Science , vol.303 , Issue.5655 , pp. 186-195
    • Garcia-Viloca, M.1    Gao, J.2    Karplus, M.3    Truhlar, D.G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.