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Volumn 106, Issue 8, 2014, Pages 1553-1554

Unknown unknowns: The challenge of systematic and statistical error in molecular dynamics simulations

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMICROBIAL CATIONIC PEPTIDE; INDOLICIDIN; LIPID BILAYER;

EID: 84898897801     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2014.03.007     Document Type: Short Survey
Times cited : (34)

References (6)
  • 1
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    • Indolicidin binding induces thinning of a lipid bilayer
    • C. Neale, and J. Hsu R. Pomés Indolicidin binding induces thinning of a lipid bilayer Biophys. J. 106 2014 L29 L31
    • (2014) Biophys. J. , vol.106
    • Neale, C.1    Hsu, J.2    Pomés, R.3
  • 2
    • 84882300844 scopus 로고    scopus 로고
    • Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal
    • C. Neale, and C. Madill R.G. Pomès Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal J. Chem. Theory Comput. 9 2013 3686 3703
    • (2013) J. Chem. Theory Comput. , vol.9 , pp. 3686-3703
    • Neale, C.1    Madill, C.2    Pomès, R.G.3
  • 3
    • 36549102647 scopus 로고
    • Error estimates on averages of correlated data
    • H. Flyvbjerg, and H.G. Petersen Error estimates on averages of correlated data J. Chem. Phys. 91 1989 461 466
    • (1989) J. Chem. Phys. , vol.91 , pp. 461-466
    • Flyvbjerg, H.1    Petersen, H.G.2
  • 4
    • 33847361456 scopus 로고    scopus 로고
    • Convergence of molecular dynamics simulations of membrane proteins
    • A. Grossfield, S.E. Feller, and M.C. Pitman Convergence of molecular dynamics simulations of membrane proteins Proteins 67 2007 31 40
    • (2007) Proteins , vol.67 , pp. 31-40
    • Grossfield, A.1    Feller, S.E.2    Pitman, M.C.3
  • 5
    • 80051613692 scopus 로고    scopus 로고
    • Block covariance overlap method and convergence in molecular dynamics
    • T.D. Romo, and A. Grossfield Block covariance overlap method and convergence in molecular dynamics J. Chem. Theory Comput. 7 2011 2464 2472
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 2464-2472
    • Romo, T.D.1    Grossfield, A.2
  • 6
    • 69349101503 scopus 로고    scopus 로고
    • Quantifying uncertainty and sampling quality in biomolecular simulations
    • A. Grossfield, and D.M. Zuckerman Quantifying uncertainty and sampling quality in biomolecular simulations Annu. Rep. Comput. Chem 5 2009 23 48
    • (2009) Annu. Rep. Comput. Chem , vol.5 , pp. 23-48
    • Grossfield, A.1    Zuckerman, D.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.