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Volumn 116, Issue 25, 2012, Pages 7538-7543

Water structure-forming capabilities are temperature shifted for different models

Author keywords

[No Author keywords available]

Indexed keywords

SOLVATION;

EID: 84862996500     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp303583f     Document Type: Article
Times cited : (12)

References (34)
  • 2
    • 0042868638 scopus 로고    scopus 로고
    • Role of water mediated interactions in protein-protein recognition landscapes
    • DOI 10.1021/ja034729u
    • Papoian, G. A.; Ulander, J.; Wolynes, P. G. Role of water mediated interactions in protein-protein recognition landscapes J. Am. Chem. Soc. 2003, 125 (30) 9170-9178 (Pubitemid 36903833)
    • (2003) Journal of the American Chemical Society , vol.125 , Issue.30 , pp. 9170-9178
    • Papoian, G.A.1    Ulander, J.2    Wolynes, P.G.3
  • 3
    • 78049348054 scopus 로고    scopus 로고
    • Molecular binding: Under water's influence
    • Hummer, G. Molecular binding: Under water's influence Nat. Chem. 2010, 2 (11) 906-907
    • (2010) Nat. Chem. , vol.2 , Issue.11 , pp. 906-907
    • Hummer, G.1
  • 4
    • 79953251130 scopus 로고    scopus 로고
    • Adhesive water networks facilitate binding of protein interfaces
    • Ahmad, M.; Gu, W.; Geyer, T.; Helms, V. Adhesive water networks facilitate binding of protein interfaces Nat. Commun. 2011, 2, 261
    • (2011) Nat. Commun. , vol.2 , pp. 261
    • Ahmad, M.1    Gu, W.2    Geyer, T.3    Helms, V.4
  • 5
    • 84855945574 scopus 로고    scopus 로고
    • Role of water in protein aggregation and amyloid polymorphism
    • Thirumalai, D.; Reddy, G.; Straub, J. E. Role of water in protein aggregation and amyloid polymorphism Acc. Chem. Res. 2011, 45, 83-92
    • (2011) Acc. Chem. Res. , vol.45 , pp. 83-92
    • Thirumalai, D.1    Reddy, G.2    Straub, J.E.3
  • 6
    • 58149156529 scopus 로고    scopus 로고
    • Triple points and coexistence properties of the dense phases of water calculated using computer simulation
    • Abascal, J. L. F.; Sanz, E.; Vega, C. Triple points and coexistence properties of the dense phases of water calculated using computer simulation Phys. Chem. Chem. Phys. 2009, 11, 556-562
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 556-562
    • Abascal, J.L.F.1    Sanz, E.2    Vega, C.3
  • 8
    • 26944495260 scopus 로고    scopus 로고
    • Relation between the melting temperature and the temperature of maximum density for the most common models of water
    • Vega, C.; Abascal, J. L. F. Relation between the melting temperature and the temperature of maximum density for the most common models of water J. Chem. Phys. 2005, 123 (14) 144504
    • (2005) J. Chem. Phys. , vol.123 , Issue.14 , pp. 144504
    • Vega, C.1    Abascal, J.L.F.2
  • 9
    • 29244471731 scopus 로고    scopus 로고
    • A general purpose model for the condensed phases of water: TIP4P/2005
    • Abascal, J. L. F.; Vega, C. A general purpose model for the condensed phases of water: TIP4P/2005 J. Chem. Phys. 2005, 123 (23) 234505
    • (2005) J. Chem. Phys. , vol.123 , Issue.23 , pp. 234505
    • Abascal, J.L.F.1    Vega, C.2
  • 10
    • 0344103144 scopus 로고
    • Density, thermal expansivity, and compressibility of liquid water from 0°c to 150°c. correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale
    • Kell, G. S. Density, thermal expansivity, and compressibility of liquid water from 0°c to 150°c. correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale J. Chem. Eng. Data 1975, 20 (1) 97-105
    • (1975) J. Chem. Eng. Data , vol.20 , Issue.1 , pp. 97-105
    • Kell, G.S.1
  • 13
    • 78149463926 scopus 로고    scopus 로고
    • Explicit Water Models Affect the Specific Solvation and Dynamics of Unfolded Peptides while the Conformational Behavior and Flexibility of Folded Peptides Remain Intact
    • Florová, P.; Sklenovskyí, P.; Banás, P.; Otyepka, M. Explicit Water Models Affect the Specific Solvation and Dynamics of Unfolded Peptides While the Conformational Behavior and Flexibility of Folded Peptides Remain Intact J. Chem. Theory Comput. 2010, 6 (11) 3569-3579
    • (2010) J. Chem. Theory Comput. , vol.6 , Issue.11 , pp. 3569-3579
    • Florová, P.1    Sklenovskyí, P.2    Banás, P.3    Otyepka, M.4
  • 14
    • 78649551877 scopus 로고    scopus 로고
    • Protein simulations with an optimized water model: Cooperative helix formation and temperature-induced unfolded state collapse
    • Best, R. B.; Mittal, J. Protein simulations with an optimized water model: cooperative helix formation and temperature-induced unfolded state collapse J. Phys. Chem. B 2010, 114 (46) 14916-14923
    • (2010) J. Phys. Chem. B , vol.114 , Issue.46 , pp. 14916-14923
    • Best, R.B.1    Mittal, J.2
  • 15
    • 79954518426 scopus 로고    scopus 로고
    • Optimizing protein-solvent force fields to reproduce intrinsic conformational preferences of model peptides
    • Nerenberg, P. S.; Head-Gordon, T. Optimizing protein-solvent force fields to reproduce intrinsic conformational preferences of model peptides J. Chem. Theory Comput. 2011, 7, 1220-1230
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 1220-1230
    • Nerenberg, P.S.1    Head-Gordon, T.2
  • 16
    • 1242346370 scopus 로고
    • The missing term in effective pair potentials
    • Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The missing term in effective pair potentials J. Phys. Chem. 1987, 91 (24) 6269-6271
    • (1987) J. Phys. Chem. , vol.91 , Issue.24 , pp. 6269-6271
    • Berendsen, H.J.C.1    Grigera, J.R.2    Straatsma, T.P.3
  • 17
    • 84906391926 scopus 로고
    • Temperature and size dependence for monte carlo simulations of TIP4P water
    • Jorgensen, W. L.; Madura, J. D. Temperature and size dependence for monte carlo simulations of TIP4P water Mol. Phys. 1985, 56 (6) 1381-1392
    • (1985) Mol. Phys. , vol.56 , Issue.6 , pp. 1381-1392
    • Jorgensen, W.L.1    Madura, J.D.2
  • 18
    • 2942622288 scopus 로고    scopus 로고
    • Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
    • Horn, H. W.; Swope, W. C.; Pitera, J. W.; Madura, J. D.; Dick, T. J.; Hura, G. L.; Head-Gordon, T. Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew J. Chem. Phys. 2004, 120 (20) 9665-9678
    • (2004) J. Chem. Phys. , vol.120 , Issue.20 , pp. 9665-9678
    • Horn, H.W.1    Swope, W.C.2    Pitera, J.W.3    Madura, J.D.4    Dick, T.J.5    Hura, G.L.6    Head-Gordon, T.7
  • 19
    • 0000020246 scopus 로고    scopus 로고
    • A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
    • Mahoney, M. W.; Jorgensen, W. L. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions J. Chem. Phys. 2000, 112 (20) 8910-8922
    • (2000) J. Chem. Phys. , vol.112 , Issue.20 , pp. 8910-8922
    • Mahoney, M.W.1    Jorgensen, W.L.2
  • 20
    • 78649513167 scopus 로고    scopus 로고
    • Structural inhomogeneity of water by complex network analysis
    • Rao, F.; Garrett-Roe, S.; Hamm, P. Structural inhomogeneity of water by complex network analysis J. Phys. Chem. B 2010, 114 (47) 15598-15604
    • (2010) J. Phys. Chem. B , vol.114 , Issue.47 , pp. 15598-15604
    • Rao, F.1    Garrett-Roe, S.2    Hamm, P.3
  • 21
    • 79957590370 scopus 로고    scopus 로고
    • Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics
    • Garrett-Roe, S.; Perakis, F.; Rao, F.; Hamm, P. Three-dimensional infrared spectroscopy of isotope-substituted liquid water reveals heterogeneous dynamics J. Phys. Chem. B 2011, 115 (21) 6976-6984
    • (2011) J. Phys. Chem. B , vol.115 , Issue.21 , pp. 6976-6984
    • Garrett-Roe, S.1    Perakis, F.2    Rao, F.3    Hamm, P.4
  • 24
    • 33846086933 scopus 로고    scopus 로고
    • Canonical sampling through velocity rescaling
    • Bussi, G.; Donadio, D.; Parrinello, M. Canonical sampling through velocity rescaling J. Chem. Phys. 2007, 126 (1) 014101
    • (2007) J. Chem. Phys. , vol.126 , Issue.1 , pp. 014101
    • Bussi, G.1    Donadio, D.2    Parrinello, M.3
  • 25
    • 33846823909 scopus 로고
    • Particle mesh ewald: An n log(n) method for ewald sums in large systems
    • Darden, T.; York, D.; Pedersen, L. Particle mesh ewald: An n log(n) method for ewald sums in large systems J. Chem. Phys. 1993, 98 (12) 10089-10092
    • (1993) J. Chem. Phys. , vol.98 , Issue.12 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 26
    • 23844484216 scopus 로고    scopus 로고
    • Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models
    • Brovchenko, I.; Geiger, A.; Oleinikova, A. Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models J. Chem. Phys. 2005, 123 (4) 044515
    • (2005) J. Chem. Phys. , vol.123 , Issue.4 , pp. 044515
    • Brovchenko, I.1    Geiger, A.2    Oleinikova, A.3
  • 27
    • 0035905815 scopus 로고    scopus 로고
    • Relationship between structural order and the anomalies of liquid water
    • DOI 10.1038/35053024
    • Errington, J. R.; Debenedetti, P. G. Relationship between structural order and the anomalies of liquid water Nature 2001, 409 (6818) 318-321 (Pubitemid 32151231)
    • (2001) Nature , vol.409 , Issue.6818 , pp. 318-321
    • Errington, J.R.1    Debenedetti, P.G.2
  • 28
    • 4243422452 scopus 로고    scopus 로고
    • Effect of environment on hydrogen bond dynamics in liquid water
    • Luzar, A.; Chandler, D. Effect of Environment on Hydrogen Bond Dynamics in Liquid Water Phys. Rev. Lett. 1996, 76, 928-931 (Pubitemid 126618501)
    • (1996) Physical Review Letters , vol.76 , Issue.6 , pp. 928-931
    • Luzar, A.1    Chandler, D.2
  • 30
    • 18744375794 scopus 로고    scopus 로고
    • The melting temperature of the most common models of water
    • Vega, C.; Sanz, E.; Abascal, J. L. F. The melting temperature of the most common models of water J. Chem. Phys. 2005, 122 (11) 114507
    • (2005) J. Chem. Phys. , vol.122 , Issue.11 , pp. 114507
    • Vega, C.1    Sanz, E.2    Abascal, J.L.F.3
  • 31
    • 80455131576 scopus 로고    scopus 로고
    • Liquid-liquid coexistence in nacl aqueous solutions: A simulation study of concentration effects
    • Corradini, D.; Gallo, P. Liquid-liquid coexistence in nacl aqueous solutions: a simulation study of concentration effects J. Phys. Chem. B 2011, 115 (48) 14161-14166
    • (2011) J. Phys. Chem. B , vol.115 , Issue.48 , pp. 14161-14166
    • Corradini, D.1    Gallo, P.2
  • 32
    • 34249933138 scopus 로고    scopus 로고
    • Hydrogen bonding definitions and dynamics in liquid water
    • Kumar, R.; Schmidt, J. R.; Skinner, J. L. Hydrogen bonding definitions and dynamics in liquid water J. Chem. Phys. 2007, 126 (20) 204107
    • (2007) J. Chem. Phys. , vol.126 , Issue.20 , pp. 204107
    • Kumar, R.1    Schmidt, J.R.2    Skinner, J.L.3
  • 33
    • 1942425662 scopus 로고    scopus 로고
    • A reoptimization of the five-site water potential (tip5p) for use with ewald sums
    • Rick, S. W. A reoptimization of the five-site water potential (tip5p) for use with ewald sums J. Chem. Phys. 2004, 120 (13) 6085-6093
    • (2004) J. Chem. Phys. , vol.120 , Issue.13 , pp. 6085-6093
    • Rick, S.W.1
  • 34
    • 0038062301 scopus 로고    scopus 로고
    • An examination of the five-site potential (TIP5P) for water
    • DOI 10.1063/1.1514572
    • Lisal, M.; Kolafa, J.; Nezbeda, I. An examination of the five-site potential (tip5p) for water J. Chem. Phys. 2002, 117 (19) 8892-8897 (Pubitemid 35457594)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.19 , pp. 8892-8897
    • Lisal, M.1    Kolafa, J.2    Nezbeda, I.3


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