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Volumn 52, Issue 24, 2013, Pages 14072-14088

Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; CYTOCHROME C OXIDASE; IRON; OXYGEN; WATER;

EID: 84890709439     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic401858s     Document Type: Article
Times cited : (20)

References (76)
  • 48
    • 0012918529 scopus 로고    scopus 로고
    • SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.
    • ADF Amsterdam Density Functional Software, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands; http://www.scm.com.
    • ADF Amsterdam Density Functional Software
  • 65
    • 84890656454 scopus 로고    scopus 로고
    • Personal communication, In very recent DFT calculations on the DNC models similar to Intermediate State 2 (reduced state R) of ref 11 containing 183 atoms, our coworker A. W. Götz found a large difference in the Tyr237-geranyl sidechain O⋯O distance depending on whether Tyr237 is neutral or an anion (charged H bond).
    • Götz, A. W. Personal communication, 2013. In very recent DFT calculations on the DNC models similar to Intermediate State 2 (reduced state R) of ref 11 containing 183 atoms, our coworker A. W. Götz found a large difference in the Tyr237-geranyl sidechain O⋯O distance depending on whether Tyr237 is neutral or an anion (charged H bond).
    • (2013)
    • Götz, A.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.