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Volumn 131, Issue 20, 2009, Pages 7064-7078

Long-distance proton transfer with a break in the bacteriorhodopsin active site

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ARCHAEON; EXTRACELLULAR; MEMBRANE PROTEINS; PLASMA MEMBRANES; PROTEIN STRUCTURES; PROTON RELEASE; PROTON-PUMPING; PROTONATED; STRUCTURAL MODELS; TRANSIENT STATE; VIBRATIONAL FREQUENCIES; WATER MOLECULE;

EID: 70349112722     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja809767v     Document Type: Article
Times cited : (32)

References (103)
  • 72
    • 70349159387 scopus 로고    scopus 로고
    • Canuto, S., Ed.; Springer, Chapter "Combined QM/MM methods for the simulation of condensed phase processes using an approximate DFT approach,"
    • Elstner, M.; Cui, Q. In Challenges and Advances in Computational Chemistry and Physics, Vol.6; Canuto, S., Ed.; Springer, 2008; Chapter "Combined QM/MM methods for the simulation of condensed phase processes using an approximate DFT approach," pp 381-405.
    • (2008) Challenges and Advances in Computational Chemistry and Physics , vol.6 , pp. 381-405
    • Elstner, M.1    Cui, Q.2
  • 73
    • 70349090414 scopus 로고    scopus 로고
    • Lee, T.; York. D., Ed.; Springer, in press;Chapter Multi-scale QM/MM methods with Self-ConsistentCharge Density-Functional-Tight-Binding (SCC-DFTB)
    • Cui, Q.; Elstner, M. In Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications; Lee, T.; York. D., Ed.; Springer, in press;Chapter Multi-scale QM/MM methods with Self-ConsistentCharge Density-Functional-Tight-Binding (SCC-DFTB).
    • Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications
    • Cui, Q.1    Elstner, M.2
  • 103
    • 70349094756 scopus 로고    scopus 로고
    • note
    • 48 This difference can be attributed to the large QM region used here (retinal, Asp85, Asp212, and three water molecules), whereas in ref 48 only retinal has been treated with QM.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.