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Volumn 134, Issue 4, 2011, Pages

Velocity scaling for optimizing replica exchange molecular dynamics

Author keywords

[No Author keywords available]

Indexed keywords

REPLICA EXCHANGE MOLECULAR DYNAMICS; RESCALING; TEST CASE; TRP-CAGE PROTEINS;

EID: 79551582854     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3533236     Document Type: Article
Times cited : (23)

References (38)
  • 6
    • 65949095399 scopus 로고    scopus 로고
    • 10.1063/1.3139192
    • C. Zhang and J. Ma, J. Chem. Phys. 130, 194112 (2009). 10.1063/1.3139192
    • (2009) J. Chem. Phys. , vol.130 , pp. 194112
    • Zhang, C.1    Ma, J.2
  • 11
    • 33749605444 scopus 로고    scopus 로고
    • Hydrophobic aided replica exchange: An efficient algorithm for protein folding in explicit solvent
    • DOI 10.1021/jp060365r
    • P. Liu, X. Huang, R. Zhou, and B. J. Berne, J. Phys. Chem. B 110, 19018 (2006). 10.1021/jp060365r (Pubitemid 44547290)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.38 , pp. 19018-19022
    • Liu, P.1    Huang, X.2    Zhou, R.3    Berne, B.J.4
  • 19
    • 0031578972 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(97)01198-6
    • U. H. E. Hansmann, Chem. Phys. Lett. 281, 140 (1997). 10.1016/S0009-2614(97)01198-6
    • (1997) Chem. Phys. Lett. , vol.281 , pp. 140
    • Hansmann, U.H.E.1
  • 20
    • 0001616080 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(99)01123-9
    • Y. Sugita and Y. Okamoto, Chem. Phys. Lett. 314, 141 (1999). 10.1016/S0009-2614(99)01123-9
    • (1999) Chem. Phys. Lett. , vol.314 , pp. 141
    • Sugita, Y.1    Okamoto, Y.2
  • 21
    • 33847254549 scopus 로고    scopus 로고
    • Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water
    • DOI 10.1016/j.jsb.2006.10.031, PII S1047847706003297, Advanced in Molecular Dynamics Simulations
    • D. Paschek, H. Nymeyer, and A. E. Garcia, J. Struct. Biol. 157, 524 (2007). 10.1016/j.jsb.2006.10.031 (Pubitemid 46321518)
    • (2007) Journal of Structural Biology , vol.157 , Issue.3 , pp. 524-533
    • Paschek, D.1    Nymeyer, H.2    Garcia, A.E.3
  • 22
    • 21444457267 scopus 로고    scopus 로고
    • Energy landscape paving simulations of the trp-cage protein
    • DOI 10.1063/1.1899149, 194711
    • A. Schug, W. Wenzel, and U. H. E. Hansmann, J. Chem. Phys. 122, 194711 (2005). 10.1063/1.1899149 (Pubitemid 40914348)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.19 , pp. 1-7
    • Schug, A.1    Wenzel, W.2    Hansmann, U.H.E.3
  • 34
    • 65249142199 scopus 로고    scopus 로고
    • 10.1063/1.3106761
    • M. S. Li and M. Kouza, J. Chem. Phys. 130, 145102 (2009). 10.1063/1.3106761
    • (2009) J. Chem. Phys. , vol.130 , pp. 145102
    • Li, M.S.1    Kouza, M.2
  • 35
    • 38849169933 scopus 로고    scopus 로고
    • New force replica exchange method and protein folding pathways probed by force-clamp technique
    • DOI 10.1063/1.2822272
    • M. Kouza, C. K. Hu, and M. S. Li, J. Chem. Phys. 128, 045103 (2008). 10.1063/1.2822272 (Pubitemid 351191663)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.4 , pp. 045103
    • Kouza, M.1    Hu, C.-K.2    Li, M.S.3
  • 36
    • 77953073342 scopus 로고    scopus 로고
    • 10.1143/JPSJ.79.054001
    • W.-J. Ma and C.-K. Hu, J. Phys. Soc. Jpn. 79, 054001 (2010). 10.1143/JPSJ.79.054001
    • (2010) J. Phys. Soc. Jpn. , vol.79 , pp. 054001
    • Ma, W.-J.1    Hu, C.-K.2
  • 37
    • 77958041262 scopus 로고    scopus 로고
    • 10.1143/JPSJ.79.104002
    • W.-J. Ma and C.-K. Hu, J. Phys. Soc. Jpn. 79, 104002 (2010). 10.1143/JPSJ.79.104002
    • (2010) J. Phys. Soc. Jpn. , vol.79 , pp. 104002
    • Ma, W.-J.1    Hu, C.-K.2
  • 38
    • 79551591436 scopus 로고    scopus 로고
    • Velocity-scaling for Replica Exchange Simulations of Proteins in Explicit Solvent (unpublished)
    • J. Z. Wang, G. H. Li, and U. H. E. Hansmann, Velocity-scaling for Replica Exchange Simulations of Proteins in Explicit Solvent (unpublished).
    • Wang, J.Z.1    Li, G.H.2    Hansmann, U.H.E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.