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Volumn 115, Issue 29, 2011, Pages 9202-9212

A sulfonium cation intermediate in the mechanism of methionine sulfoxide reductase B: A DFT study

Author keywords

[No Author keywords available]

Indexed keywords

COVALENT BONDS; DENSITY FUNCTIONAL THEORY; ENZYMES; HYDROGEN BONDS; OXYGEN; POSITIVE IONS; PROTONS; SUBSTRATES; SULFUR;

EID: 79960624689     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp111681e     Document Type: Article
Times cited : (11)

References (59)
  • 54
    • 79951968121 scopus 로고    scopus 로고
    • The mutated enzyme-sulfurane complexes were solvated, equilibrated, and minimized using the Amber94 force field. Simulations were run for 2 ns with a time step of 50 ps starting at a temperature of 300 K and 1 atm pressure. The methodology used has been previously described in detail in;;;;, and refrences therein
    • The mutated enzyme-sulfurane complexes were solvated, equilibrated, and minimized using the Amber94 force field. Simulations were run for 2 ns with a time step of 50 ps starting at a temperature of 300 K and 1 atm pressure. The methodology used has been previously described in detail in Bushnell, E. A. C.; Erdtman, E.; Llano, J.; Eriksson, L. A.; Gauld, J. W. J. Comput. Chem. 2010, 32, 822 and refrences therein
    • (2010) J. Comput. Chem. , vol.32 , pp. 822
    • Bushnell, E.A.C.1    Erdtman, E.2    Llano, J.3    Eriksson, L.A.4    Gauld, J.W.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.