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Volumn 108, Issue 4, 2004, Pages 1467-1477

Solution conformations of wild-type and mutated Bak BH3 peptides via dynamical conformational sampling and implication to their binding to antiapoptotic Bcl-2 proteins

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BIOASSAY; COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; MUTAGENESIS; PROTEINS; SOLUTIONS; STRUCTURE (COMPOSITION);

EID: 0442279524     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036009f     Document Type: Article
Times cited : (7)

References (38)
  • 16
    • 0029633186 scopus 로고
    • AMBER, a package of computer programs for applying molecular mechanics, normal-mode analysis, molecular dynamics, and free-energy calculations to simulate the structural and energetic properties of molecules
    • Pearlman, D. A.; Case, D. A.; Caldwell, W. S.; Ross, W. S.; Cheatham, T. E., III; DeBolt, S.; Ferguson, D.; Seibel, G.; Kollman, P. A. AMBER, a package of computer programs for applying molecular mechanics, normal-mode analysis, molecular dynamics, and free-energy calculations to simulate the structural and energetic properties of molecules. Comput. Phys. Commun. 1995, 91, 1.
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 1
    • Pearlman, D.A.1    Case, D.A.2    Caldwell, W.S.3    Ross, W.S.4    Cheatham III, T.E.5    DeBolt, S.6    Ferguson, D.7    Seibel, G.8    Kollman, P.A.9
  • 18
    • 0442331775 scopus 로고    scopus 로고
    • note
    • Sybyl, a molecular modeling system, is supplied by Tripos, Inc., St. Louis, MO 63144.
  • 27
    • 0442316165 scopus 로고    scopus 로고
    • note
    • The initial effective free energy starts at -954 kcal/mol. The first transient plateau appears between 500 ps and 1 ns, and the averaged effective free energy in this period is -1004 kcal/mol.
  • 35
    • 0442315552 scopus 로고    scopus 로고
    • DINO: Visualizing Structural Biology
    • DINO: Visualizing Structural Biology (2002) http://www.dino3d.org.
    • (2002)
  • 36
    • 0442300633 scopus 로고    scopus 로고
    • note
    • We performed the cluster analysis using the Charmm program version c28bl. In the cluster analysis using angle data, we set the cluster group radius and max error equal to 20 and 0.001.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.