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Volumn 134, Issue 3, 2011, Pages

Towards an understanding of many-particle effects in hydrophobic association in methane solutions

Author keywords

[No Author keywords available]

Indexed keywords

COARSE-GRAINING METHOD; HEAT CAPACITIES; HYDROPHOBIC ASSOCIATION; HYDROPHOBIC HYDRATION; MANY-BODY EFFECT; MANY-PARTICLE EFFECTS; MOLAR FRACTIONS; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALES; POTENTIALS OF MEAN FORCES; SOLVENT CAVITY; SOLVENT COORDINATES;

EID: 79551619185     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3521480     Document Type: Article
Times cited : (41)

References (55)
  • 2
    • 3843096194 scopus 로고
    • 10.1126/science.209.4455.451
    • F. H. Stillinger, Science 209, 451 (1980). 10.1126/science.209.4455.451
    • (1980) Science , vol.209 , pp. 451
    • Stillinger, F.H.1
  • 4
    • 0025370815 scopus 로고
    • Dominant forces in protein folding
    • DOI 10.1021/bi00483a001
    • K. A. Dill, Biochem. 29, 7133 (1990). 10.1021/bi00483a001 (Pubitemid 20230041)
    • (1990) Biochemistry , vol.29 , Issue.31 , pp. 7133-7155
    • Dill, K.A.1
  • 8
    • 0007544025 scopus 로고
    • edited by W. D. McElroy and B. Glass (Johns Hopkins Press, Baltimore)
    • W. Kauzmann, in The Mechanism of Enzyme Action, edited by, W. D. McElroy, and, B. Glass, (Johns Hopkins Press, Baltimore, 1954), p. 70.
    • (1954) The Mechanism of Enzyme Action , pp. 70
    • Kauzmann, W.1
  • 9
    • 0001001096 scopus 로고
    • 10.1021/j100851a092
    • J. H. Hildebrand, J. Phys. Chem. 72, 1841 (1968). 10.1021/j100851a092
    • (1968) J. Phys. Chem. , vol.72 , pp. 1841
    • Hildebrand, J.H.1
  • 11
    • 7044239742 scopus 로고
    • 10.1021/cr00023a004
    • P. Kollman, Chem. Rev. 93, 2395 (1993). 10.1021/cr00023a004
    • (1993) Chem. Rev. , vol.93 , pp. 2395
    • Kollman, P.1
  • 15
    • 0031052147 scopus 로고    scopus 로고
    • 10.1002/pro.5560060210
    • J. A. Rank and D. Baker, Protein Sci. 6, 347 (1997). 10.1002/pro. 5560060210
    • (1997) Protein Sci. , vol.6 , pp. 347
    • Rank, J.A.1    Baker, D.2
  • 18
    • 0036643497 scopus 로고    scopus 로고
    • Anti-cooperativity and cooperativity in hydrophobic interactions: Three-body free energy landscapes and comparison with implicit-solvent potential functions for proteins
    • DOI 10.1002/prot.10108
    • S. Shimizu and H. S. Chan, Proteins: Struct. Funct. Gen. 48, 15 (2002). 10.1002/prot.10108 (Pubitemid 34595045)
    • (2002) Proteins: Structure, Function and Genetics , vol.48 , Issue.1 , pp. 15-30
    • Shimizu, S.1    Chan, H.S.2
  • 20
    • 11844285690 scopus 로고    scopus 로고
    • Temperature dependence of three-body hydrophobic interactions: Potential of mean force, enthalpy, entropy, heat capacity, and nonadditivity
    • DOI 10.1021/ja040165y
    • M. S. Moghaddam, S. Shimizu, and H. S. Chan, J. Am. Chem. Soc. 127, 303 (2005). 10.1021/ja040165y (Pubitemid 40094393)
    • (2005) Journal of the American Chemical Society , vol.127 , Issue.1 , pp. 303-316
    • Moghaddam, M.S.1    Shimizu, S.2    Hue, S.C.3
  • 22
    • 33644929350 scopus 로고    scopus 로고
    • Multiscale coarse graining of liquid-state systems
    • DOI 10.1063/1.2038787, 134105
    • S. Izvekov and G. A. Voth, J. Chem. Phys. 123, 134105 (2005). 10.1063/1.2038787 (Pubitemid 41434694)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.13 , pp. 1-13
    • Izvekov, S.1    Voth, G.A.2
  • 23
    • 14544291957 scopus 로고    scopus 로고
    • A multiscale coarse-graining method for biomolecular systems
    • DOI 10.1021/jp044629q
    • S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005). 10.1021/jp044629q (Pubitemid 40304419)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.7 , pp. 2469-2473
    • Izvekov, S.1    Voth, G.A.2
  • 27
  • 30
  • 34
    • 0002756891 scopus 로고
    • 10.1016/0375-9601(74)90847-0
    • R. L. Henderson, Phys. Lett. A 49, 197 (1974). 10.1016/0375-9601(74) 90847-0
    • (1974) Phys. Lett. A , vol.49 , pp. 197
    • Henderson, R.L.1
  • 35
    • 33751499566 scopus 로고
    • 10.1021/j100175a090
    • A. Wallqvist, J. Phys. Chem. 95, 8921 (1991). 10.1021/j100175a090
    • (1991) J. Phys. Chem. , vol.95 , pp. 8921
    • Wallqvist, A.1
  • 37
    • 41549116832 scopus 로고    scopus 로고
    • Hydrophobic interactions between methane and a nanoscopic pocket: Three dimensional distribution of potential of mean force revealed by computer simulations
    • DOI 10.1063/1.2839885
    • P. Setny, J. Chem. Phys. 128, 125105 (2008). 10.1063/1.2839885 (Pubitemid 351474134)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.12 , pp. 125105
    • Setny, P.1
  • 38
    • 0037040051 scopus 로고    scopus 로고
    • Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions
    • DOI 10.1063/1.1431582
    • T. Ghosh, A. E. Garcia, and S. Garde, J. Chem. Phys. 116, 2480 (2002). 10.1063/1.1431582 (Pubitemid 34167985)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.6 , pp. 2480-2486
    • Ghosh, T.1    Garcia, A.E.2    Garde, S.3
  • 42
    • 42449148416 scopus 로고    scopus 로고
    • A novel algorithm for creating coarse-grained, density dependent implicit solvent models
    • DOI 10.1063/1.2899729
    • E. C. Allen and G. C. Rutledge, J. Chem. Phys. 128, 154115 (2008). 10.1063/1.2899729 (Pubitemid 351574617)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.15 , pp. 154115
    • Allen, E.C.1    Rutledge, G.C.2
  • 43
    • 0000046748 scopus 로고
    • 10.1016/0375-9601(73)90591-4
    • W. Schommer, Phys. Lett. A 43, 157 (1973). 10.1016/0375-9601(73)90591-4
    • (1973) Phys. Lett. A , vol.43 , pp. 157
    • Schommer, W.1
  • 45
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
    • DOI 10.1021/ja9621760, PII S0002786396021762
    • W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996). 10.1021/ja9621760 (Pubitemid 26399746)
    • (1996) Journal of the American Chemical Society , vol.118 , Issue.45 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 48
    • 0030175155 scopus 로고    scopus 로고
    • DL-POLY-2.0: A general-purpose parallel molecular dynamics simulation package
    • DOI 10.1016/S0263-7855(96)00043-4, PII S0263785596000434
    • W. Smith and T. R. Forester, J. Mol. Graphics 14 (3), 136 (1996); 10.1016/S0263-7855(96)00043-4 (Pubitemid 26372493)
    • (1996) Journal of Molecular Graphics , vol.14 , Issue.3 , pp. 136-141
    • Smith, W.1    Forester, T.R.2
  • 49
    • 0001603545 scopus 로고    scopus 로고
    • DL-POLY: Application to molecular simulation
    • DOI 10.1080/08927020290018769, PII 1UHF4AV12J7360YY
    • W. Smith, C. W. Yong, and P. M. Rodger, Mol. Simulat. 28 (5), 385 (2002). 10.1080/08927020290018769 (Pubitemid 44121111)
    • (2002) Molecular Simulation , vol.28 , Issue.5 , pp. 385-471
    • Smith, W.1    Yong, C.W.2    Rodger, P.M.3
  • 52
    • 2342655841 scopus 로고    scopus 로고
    • 10.1063/1.1652015
    • D. Paschek, J. Chem. Phys. 120, 6674 (2004). 10.1063/1.1652015
    • (2004) J. Chem. Phys. , vol.120 , pp. 6674
    • Paschek, D.1
  • 54
    • 31744451391 scopus 로고    scopus 로고
    • Comparison of two approaches to potential of mean force calculations of hydrophobic association: Particle insertion and weighted histogram analysis methods
    • DOI 10.1080/00268970500233797
    • C. Czaplewski, S. Kalinowski, A. Liwo, and H. A. Scheraga, Mol. Phys. 103, 3153 (2005). 10.1080/00268970500233797 (Pubitemid 43175280)
    • (2005) Molecular Physics , vol.103 , pp. 3153-3167
    • Czaplewski, C.1    Kalinowski, S.2    Liwo, A.3    Scheraga, H.A.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.