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Volumn 63, Issue 4, 1998, Pages 938-945

Studying How Different Terminal Groups Change the Motion of H2NSO2C6H4CONH(EG)3R When Bound to the Active Site of Human Carbonic Anhydrase II

Author keywords

[No Author keywords available]

Indexed keywords

CARBONATE DEHYDRATASE II; CARBONATE DEHYDRATASE INHIBITOR; ETHYLENE GLYCOL; GLYCINE; LIGAND; PHENYLALANINE; PROLINE; SULFONAMIDE;

EID: 0040546319     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo970493z     Document Type: Article
Times cited : (5)

References (32)
  • 16
    • 1542552668 scopus 로고    scopus 로고
    • The collisional frequency applied to the oxygen atoms in the molecules of water was 62-1. For a discussion of Langevin dynamics: Brooks, C. L. Karplus, M. Biopolymers.
    • Biopolymers
    • Brooks, C.L.1    Karplus, M.2
  • 20
    • 1542762773 scopus 로고    scopus 로고
    • That is, if the peptide group was outside the buffer region, then the entire amino acid was deleted
    • That is, if the peptide group was outside the buffer region, then the entire amino acid was deleted.
  • 25
    • 1542552670 scopus 로고    scopus 로고
    • note
    • We calculated the isomerization rate by counting the number of times a torsion crossed a barrier into a neighboring well and then divided this number by the length of the simulation.
  • 26
    • 1542762790 scopus 로고    scopus 로고
    • We did not include hydrogen atoms in the calculation of the rms difference in atomic positions
    • We did not include hydrogen atoms in the calculation of the rms difference in atomic positions.
  • 28
    • 1542762825 scopus 로고    scopus 로고
    • note
    • We showed that, for analogous compounds based on oligoglycines, the plane of the -CONH- group in the glycines preferred to pack against the hydrophobic wall in the active site of HCAII.
  • 32
    • 1542657652 scopus 로고
    • Holloway et al. J. Med. Chem. 1995, 38, 236-240.
    • (1995) J. Med. Chem. , vol.38 , pp. 236-240
    • Holloway1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.