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Volumn 108, Issue 50, 2004, Pages 19487-19495

Long-time conformational transitions of alanine dipeptide in aqueous solution: Continuous and discrete-state kinetic models

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDE; CONFORMATIONAL DYNAMICS; DISCRETE-STATE KINETIC MODELS; KINETIC BEHAVIOR;

EID: 10944260594     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048540w     Document Type: Article
Times cited : (85)

References (59)
  • 43
    • 10944235753 scopus 로고    scopus 로고
    • Manuscript in preparation
    • Ishida, T.; Levy, R. M. Manuscript in preparation.
    • Ishida, T.1    Levy, R.M.2
  • 46
    • 84860070477 scopus 로고    scopus 로고
    • Schrödinder: Portland, OR
    • IMPACT: Schrödinder: Portland, OR.
    • IMPACT
  • 51
    • 10944272377 scopus 로고    scopus 로고
    • note
    • Alternatively, a second-order scheme such as the stochastic Runge -Kutta technique can be implemented instead of eq 1. Higher order methods allow larger time steps because the force is evaluated several times (at least twice) per time step and, thus, its variation during the time step is better approximated. See, for instance, ref 52 and references therein.
  • 53
    • 10944230299 scopus 로고    scopus 로고
    • note
    • hin normally exceeding several picoseconds.
  • 57
    • 10944236692 scopus 로고    scopus 로고
    • note
    • The initial value problem was solved using the MATLAB ode45 solver. Matching results were obtained in the eigenvalue/eigenfunction expansion analysis. Consult, for example, ref 33.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.