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Volumn 129, Issue 29, 2007, Pages 9117-9124

Enzymatic effects on reactant and transition states. The case of chalcone isomerase

Author keywords

[No Author keywords available]

Indexed keywords

CHALCONE ISOMERASE; ENZYMATIC EFFECTS; FLAVONOIDS; TRANSITION STATES;

EID: 34547396575     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja071720+     Document Type: Article
Times cited : (14)

References (56)
  • 41
    • 34547484420 scopus 로고    scopus 로고
    • O-Cl′ dihedral angle were chosen as the variables defining these PESs. The distance was varied from 1.4 to 3.0 in steps of 0.1 Å, and the dihedral angle was changed from 0 to 360° in steps of 20°, so a total of 17 x 18 points were calculated. For each of these points, both coordinates were kept frozen while the rest of the system was minimized, following GRACEFULL algorithm (Martí, S.; Moliner, V.; Tuñón, I. J. Chem. Theor. Comput. 2006, 2, 216-216.) implemented in DYNAMO.
    • O-Cl′ dihedral angle were chosen as the variables defining these PESs. The distance was varied from 1.4 to 3.0 in steps of 0.1 Å, and the dihedral angle was changed from 0 to 360° in steps of 20°, so a total of 17 x 18 points were calculated. For each of these points, both coordinates were kept frozen while the rest of the system was minimized, following GRACEFULL algorithm (Martí, S.; Moliner, V.; Tuñón, I. J. Chem. Theor. Comput. 2006, 2, 216-216.) implemented in DYNAMO.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.