메뉴 건너뛰기




Volumn 9, Issue 3, 2013, Pages 1778-1787

Evaluation of hydration free energy by level-set variational implicit-solvent model with Coulomb-Field approximation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84874834874     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct301087w     Document Type: Article
Times cited : (29)

References (67)
  • 1
    • 33644682762 scopus 로고    scopus 로고
    • Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models
    • Dzubiella, J.; Swanson, J. M. J.; McCammon, J. A. Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models Phys. Rev. Lett. 2006, 96 (8) 087802
    • (2006) Phys. Rev. Lett. , vol.96 , Issue.8 , pp. 087802
    • Dzubiella, J.1    Swanson, J.M.J.2    McCammon, J.A.3
  • 2
    • 33644594508 scopus 로고    scopus 로고
    • Coupling nonpolar and polar solvation free energies in implicit solvent models
    • Dzubiella, J.; Swanson, J. M. J.; McCammon, J. A. Coupling nonpolar and polar solvation free energies in implicit solvent models J. Chem. Phys. 2006, 124 (8) 084905
    • (2006) J. Chem. Phys. , vol.124 , Issue.8 , pp. 084905
    • Dzubiella, J.1    Swanson, J.M.J.2    McCammon, J.A.3
  • 3
    • 34548378695 scopus 로고    scopus 로고
    • Application of the level-set method to the implicit solvation of nonpolar molecules
    • Cheng, L. T.; Dzubiella, J.; McCammon, J. A.; Li, B. Application of the level-set method to the implicit solvation of nonpolar molecules J. Chem. Phys. 2007, 127 (8) 084503
    • (2007) J. Chem. Phys. , vol.127 , Issue.8 , pp. 084503
    • Cheng, L.T.1    Dzubiella, J.2    McCammon, J.A.3    Li, B.4
  • 4
    • 77956407030 scopus 로고    scopus 로고
    • Level-Set Minimization of Potential Controlled Hadwiger Valuations for Molecular Solvation
    • Cheng, L. T.; Li, B.; Wang, Z. Level-Set Minimization of Potential Controlled Hadwiger Valuations for Molecular Solvation J. Comput. Phys. 2010, 229 (22) 8497-8510
    • (2010) J. Comput. Phys. , vol.229 , Issue.22 , pp. 8497-8510
    • Cheng, L.T.1    Li, B.2    Wang, Z.3
  • 5
    • 70350482625 scopus 로고    scopus 로고
    • Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach
    • Cheng, L. T.; Wang, Z.; Setny, P.; Dzubiella, J.; Li, B.; McCammon, J. A. Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach J. Chem. Phys. 2009, 131 (14) 144102
    • (2009) J. Chem. Phys. , vol.131 , Issue.14 , pp. 144102
    • Cheng, L.T.1    Wang, Z.2    Setny, P.3    Dzubiella, J.4    Li, B.5    McCammon, J.A.6
  • 6
    • 65249120770 scopus 로고    scopus 로고
    • Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules
    • Cheng, L. T.; Xie, Y.; Dzubiella, J.; McCammon, J. A.; Che, J.; Li, B. Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules J. Chem. Theory Comput. 2009, 5 (2) 257-266
    • (2009) J. Chem. Theory Comput. , vol.5 , Issue.2 , pp. 257-266
    • Cheng, L.T.1    Xie, Y.2    Dzubiella, J.3    McCammon, J.A.4    Che, J.5    Li, B.6
  • 8
    • 84863183831 scopus 로고    scopus 로고
    • Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation
    • Wang, Z.; Che, J.; Cheng, L. T.; Dzubiella, J.; Li, B.; McCammon, J. A. Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation J. Chem. Theory Comput. 2012, 8 (2) 386-397
    • (2012) J. Chem. Theory Comput. , vol.8 , Issue.2 , pp. 386-397
    • Wang, Z.1    Che, J.2    Cheng, L.T.3    Dzubiella, J.4    Li, B.5    McCammon, J.A.6
  • 9
    • 65249187748 scopus 로고    scopus 로고
    • Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations
    • Mobley, D. L.; Bayly, C. I.; Cooper, M. D.; Shirts, M. R.; Dill, K. A. Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations J. Chem. Theory Comput. 2009, 5 (2) 350-358
    • (2009) J. Chem. Theory Comput. , vol.5 , Issue.2 , pp. 350-358
    • Mobley, D.L.1    Bayly, C.I.2    Cooper, M.D.3    Shirts, M.R.4    Dill, K.A.5
  • 10
    • 79960626784 scopus 로고    scopus 로고
    • Surveying Implicit Solvent Models for Estimating Small Molecule Absolute Hydration Free Energies
    • Knight, J. L.; Brooks, C. L. Surveying Implicit Solvent Models for Estimating Small Molecule Absolute Hydration Free Energies J. Comput. Chem. 2011, 32 (13) 2909-2923
    • (2011) J. Comput. Chem. , vol.32 , Issue.13 , pp. 2909-2923
    • Knight, J.L.1    Brooks, C.L.2
  • 11
    • 11744256643 scopus 로고
    • Molecular interactions in solution: An overview of methods based on continuous distributions of the solvent
    • Tomasi, J.; Persico, M. Molecular interactions in solution: An overview of methods based on continuous distributions of the solvent Chem. Rev. 1994, 94, 2027-2094
    • (1994) Chem. Rev. , vol.94 , pp. 2027-2094
    • Tomasi, J.1    Persico, M.2
  • 12
    • 84961981091 scopus 로고    scopus 로고
    • Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
    • Cramer, C. J.; Truhlar, D. G. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics Chem. Rev. 1999, 99 (8) 2161-2200
    • (1999) Chem. Rev. , vol.99 , Issue.8 , pp. 2161-2200
    • Cramer, C.J.1    Truhlar, D.G.2
  • 13
    • 0032968133 scopus 로고    scopus 로고
    • Implicit solvent models
    • Roux, B.; Simonson, T. Implicit solvent models Biophys. Chem. 1999, 78 (1-2) 1-20
    • (1999) Biophys. Chem. , vol.78 , Issue.12 , pp. 1-20
    • Roux, B.1    Simonson, T.2
  • 14
    • 1942456697 scopus 로고    scopus 로고
    • Recent advances in the development and applications of implicit solvent models in biomolecule simulations
    • Feig, M.; Brooks, C. L. Recent advances in the development and applications of implicit solvent models in biomolecule simulations Curr. Opin. Struct. Biol. 2004, 14, 217-224
    • (2004) Curr. Opin. Struct. Biol. , vol.14 , pp. 217-224
    • Feig, M.1    Brooks, C.L.2
  • 15
    • 0015222647 scopus 로고
    • The interpretation of protein structures: Estimation of static accessibility
    • Lee, B.; Richards, F. M. The interpretation of protein structures: estimation of static accessibility J. Mol. Biol. 1971, 55 (3) 379-400
    • (1971) J. Mol. Biol. , vol.55 , Issue.3 , pp. 379-400
    • Lee, B.1    Richards, F.M.2
  • 16
    • 0017429069 scopus 로고
    • Areas, volumes, packing and protein structure
    • Richards, F. M. Areas, volumes, packing and protein structure Annu. Rev. Biophys. Bioeng. 1977, 6, 151-176
    • (1977) Annu. Rev. Biophys. Bioeng. , vol.6 , pp. 151-176
    • Richards, F.M.1
  • 17
    • 0000538815 scopus 로고
    • Analytical Molecular-Surface Calculation
    • OCT
    • Connolly, M. L. Analytical Molecular-Surface Calculation J. Appl. Crystallogr. 1983, 16 (Oct) 548-558
    • (1983) J. Appl. Crystallogr. , vol.16 , pp. 548-558
    • Connolly, M.L.1
  • 18
    • 0027159949 scopus 로고
    • The molecular surface package
    • Connolly, M. L. The molecular surface package J. Mol. Graphics 1992, 11, 139-141
    • (1992) J. Mol. Graphics , vol.11 , pp. 139-141
    • Connolly, M.L.1
  • 19
    • 0021755764 scopus 로고
    • Solvent Accessible Surface-Area and Excluded Volume in Proteins - Analytical Equations for Overlapping Spheres and Implications for the Hydrophobic Effect
    • Richmond, T. J. Solvent Accessible Surface-Area and Excluded Volume in Proteins-Analytical Equations for Overlapping Spheres and Implications for the Hydrophobic Effect J. Mol. Biol. 1984, 178 (1) 63-89
    • (1984) J. Mol. Biol. , vol.178 , Issue.1 , pp. 63-89
    • Richmond, T.J.1
  • 20
    • 74849120001 scopus 로고    scopus 로고
    • Oil/Water Transfer Is Partly Driven by Molecular Shape, Not Just Size
    • Fennell, C. J.; Kehoe, C.; Dill, K. A. Oil/Water Transfer Is Partly Driven by Molecular Shape, Not Just Size J. Am. Chem. Soc. 2010, 132 (1) 234-240
    • (2010) J. Am. Chem. Soc. , vol.132 , Issue.1 , pp. 234-240
    • Fennell, C.J.1    Kehoe, C.2    Dill, K.A.3
  • 21
    • 79952748987 scopus 로고    scopus 로고
    • Modeling aqueous solvation with semi-explicit assembly
    • Fennell, C. J.; Kehoe, C. W.; Dill, K. A. Modeling aqueous solvation with semi-explicit assembly Proc. Natl. Acad. Sci. U. S. A. 2011, 108 (8) 3234-3239
    • (2011) Proc. Natl. Acad. Sci. U. S. A. , vol.108 , Issue.8 , pp. 3234-3239
    • Fennell, C.J.1    Kehoe, C.W.2    Dill, K.A.3
  • 22
    • 81155131795 scopus 로고    scopus 로고
    • Physical Modeling of Aqueous Solvation
    • Fennell, C. J.; Dill, K. A. Physical Modeling of Aqueous Solvation J. Stat. Phys. 2011, 145 (2) 209-226
    • (2011) J. Stat. Phys. , vol.145 , Issue.2 , pp. 209-226
    • Fennell, C.J.1    Dill, K.A.2
  • 23
    • 84863089652 scopus 로고    scopus 로고
    • Testing the semi-explicit assembly solvation model in the SAMPL3 community blind test
    • Kehoe, C. W.; Fennell, C. J.; Dill, K. A. Testing the semi-explicit assembly solvation model in the SAMPL3 community blind test J. Comput.-Aided Mol. Des. 2012, 26 (5) 563-568
    • (2012) J. Comput.-Aided Mol. Des. , vol.26 , Issue.5 , pp. 563-568
    • Kehoe, C.W.1    Fennell, C.J.2    Dill, K.A.3
  • 24
    • 77955212892 scopus 로고    scopus 로고
    • Hydrophobic interactions in model enclosures from small to large length scales: Nonadditivity in explicit and implicit solvent models
    • Wang, L.; Friesner, R. A.; Berne, B. J. Hydrophobic interactions in model enclosures from small to large length scales: Nonadditivity in explicit and implicit solvent models Faraday Disc. 2010, 146, 247-262
    • (2010) Faraday Disc. , vol.146 , pp. 247-262
    • Wang, L.1    Friesner, R.A.2    Berne, B.J.3
  • 25
    • 65249148461 scopus 로고    scopus 로고
    • Hydrophobic Interactions and Dewetting between Plates with Hydrophobic and Hydrophilic Domains
    • Hua, L.; Zangi, R.; Berne, B. J. Hydrophobic Interactions and Dewetting between Plates with Hydrophobic and Hydrophilic Domains J. Phys. Chem. C 2009, 113 (13) 5244-5253
    • (2009) J. Phys. Chem. C , vol.113 , Issue.13 , pp. 5244-5253
    • Hua, L.1    Zangi, R.2    Berne, B.J.3
  • 26
    • 0011960339 scopus 로고    scopus 로고
    • Hydrophobicity at small and large length scales
    • Lum, K.; Chandler, D.; Weeks, J. D. Hydrophobicity at small and large length scales J. Phys. Chem. B 1999, 103 (22) 4570-4577
    • (1999) J. Phys. Chem. B , vol.103 , Issue.22 , pp. 4570-4577
    • Lum, K.1    Chandler, D.2    Weeks, J.D.3
  • 27
    • 26944481188 scopus 로고    scopus 로고
    • Interfaces and the driving force of hydrophobic assembly
    • Chandler, D. Interfaces and the driving force of hydrophobic assembly Nature 2005, 437 (7059) 640-647
    • (2005) Nature , vol.437 , Issue.7059 , pp. 640-647
    • Chandler, D.1
  • 28
    • 67449084506 scopus 로고    scopus 로고
    • Dewetting and Hydrophobic Interaction in Physical and Biological Systems
    • Berne, B. J.; Weeks, J. D.; Zhou, R. H. Dewetting and Hydrophobic Interaction in Physical and Biological Systems Annu. Rev. Phys. Chem. 2009, 60, 85-103
    • (2009) Annu. Rev. Phys. Chem. , vol.60 , pp. 85-103
    • Berne, B.J.1    Weeks, J.D.2    Zhou, R.H.3
  • 29
    • 80455129248 scopus 로고    scopus 로고
    • Computational probe of cavitation events in protein systems
    • Wang, J. H.; Kudesia, S.; Bratko, D.; Luzar, A. Computational probe of cavitation events in protein systems Phys. Chem. Chem. Phys. 2011, 13 (44) 19902-19910
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , Issue.44 , pp. 19902-19910
    • Wang, J.H.1    Kudesia, S.2    Bratko, D.3    Luzar, A.4
  • 30
    • 33646927210 scopus 로고    scopus 로고
    • Protein-solvent interactions
    • Prabhu, N.; Sharp, K. Protein-solvent interactions Chem. Rev. 2006, 106 (5) 1616-1623
    • (2006) Chem. Rev. , vol.106 , Issue.5 , pp. 1616-1623
    • Prabhu, N.1    Sharp, K.2
  • 31
    • 4243463817 scopus 로고
    • Electrostatics in Biomolecular Structure and Dynamics
    • Davis, M. E.; McCammon, J. A. Electrostatics in Biomolecular Structure and Dynamics Chem. Rev. 1990, 90 (3) 509-521
    • (1990) Chem. Rev. , vol.90 , Issue.3 , pp. 509-521
    • Davis, M.E.1    McCammon, J.A.2
  • 32
    • 33751552991 scopus 로고
    • Calculating Total Electrostatic Energies with the Nonlinear Poisson-Boltzmann Equation
    • Sharp, K. A.; Honig, B. Calculating Total Electrostatic Energies with the Nonlinear Poisson-Boltzmann Equation J. Phys. Chem. 1990, 94 (19) 7684-7692
    • (1990) J. Phys. Chem. , vol.94 , Issue.19 , pp. 7684-7692
    • Sharp, K.A.1    Honig, B.2
  • 34
    • 42449146150 scopus 로고    scopus 로고
    • Electrostatic free energy and its variations in implicit solvent models
    • Che, J.; Dzubiella, J.; Li, B.; McCammon, J. A. Electrostatic free energy and its variations in implicit solvent models J. Phys. Chem. B 2008, 112 (10) 3058-3069
    • (2008) J. Phys. Chem. B , vol.112 , Issue.10 , pp. 3058-3069
    • Che, J.1    Dzubiella, J.2    Li, B.3    McCammon, J.A.4
  • 35
    • 70350480299 scopus 로고    scopus 로고
    • Minimization of electrostatic free energy and the Poisson-Boltzmann equation for molecular solvation with implicit solvent
    • Li, B. Minimization of electrostatic free energy and the Poisson-Boltzmann equation for molecular solvation with implicit solvent SIAM J. Math. Anal. 2009, 40, 2536-2566
    • (2009) SIAM J. Math. Anal. , vol.40 , pp. 2536-2566
    • Li, B.1
  • 36
    • 80051618654 scopus 로고    scopus 로고
    • Mean-field description of ionic size effects with non-uniform ionic sizes: A numerical approach
    • Zhou, S.; Wang, Z.; Li, B. Mean-field description of ionic size effects with non-uniform ionic sizes: A numerical approach Phys. Rev. E 2011, 84, 021901
    • (2011) Phys. Rev. e , vol.84 , pp. 021901
    • Zhou, S.1    Wang, Z.2    Li, B.3
  • 39
    • 33645408056 scopus 로고    scopus 로고
    • Balancing solvation and intramolecular interactions: Toward a consistent generalized born force field
    • Chen, J. H.; Im, W. P.; Brooks, C. L. Balancing solvation and intramolecular interactions: Toward a consistent generalized born force field J. Am. Chem. Soc. 2006, 128 (11) 3728-3736
    • (2006) J. Am. Chem. Soc. , vol.128 , Issue.11 , pp. 3728-3736
    • Chen, J.H.1    Im, W.P.2    Brooks, C.L.3
  • 40
    • 33847676374 scopus 로고    scopus 로고
    • Critical importance of length-scale dependence in implicit modeling of hydrophobic interactions
    • Chen, J.; Brooks, C. L. Critical importance of length-scale dependence in implicit modeling of hydrophobic interactions J. Am. Chem. Soc. 2007, 129 (9) 2444-2445
    • (2007) J. Am. Chem. Soc. , vol.129 , Issue.9 , pp. 2444-2445
    • Chen, J.1    Brooks, C.L.2
  • 41
    • 14944373219 scopus 로고    scopus 로고
    • On the mechanism of hydrophobic association of nanoscopic solutes
    • Choudhury, N.; Pettitt, B. M. On the mechanism of hydrophobic association of nanoscopic solutes J. Am. Chem. Soc. 2005, 127 (10) 3556-3567
    • (2005) J. Am. Chem. Soc. , vol.127 , Issue.10 , pp. 3556-3567
    • Choudhury, N.1    Pettitt, B.M.2
  • 42
    • 34247496760 scopus 로고    scopus 로고
    • The dewetting transition and the hydrophobic effect
    • Choudhury, N.; Pettitt, B. M. The dewetting transition and the hydrophobic effect J. Am. Chem. Soc. 2007, 129 (15) 4847-4852
    • (2007) J. Am. Chem. Soc. , vol.129 , Issue.15 , pp. 4847-4852
    • Choudhury, N.1    Pettitt, B.M.2
  • 43
    • 33744822783 scopus 로고    scopus 로고
    • Assessing implicit models for nonpolar mean salvation forces: The importance of dispersion and volume changes
    • Wagoner, J. A.; Baker, N. A. Assessing implicit models for nonpolar mean salvation forces: The importance of dispersion and volume changes Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 8331-8336
    • (2006) Proc. Natl. Acad. Sci. U. S. A. , vol.103 , pp. 8331-8336
    • Wagoner, J.A.1    Baker, N.A.2
  • 44
    • 41949100049 scopus 로고    scopus 로고
    • Recent advances in implicit solvent-based methods for biomolecular simulations
    • Chen, J.; Brooks, C. L.; Khandogin, J. Recent advances in implicit solvent-based methods for biomolecular simulations Curr. Opin. Struct. Biol. 2008, 18 (2) 140-148
    • (2008) Curr. Opin. Struct. Biol. , vol.18 , Issue.2 , pp. 140-148
    • Chen, J.1    Brooks, C.L.2    Khandogin, J.3
  • 45
    • 67650932053 scopus 로고    scopus 로고
    • Geometric and potential driving formation and evolution of biomolecular surfaces
    • Bates, P. W.; Chen, Z.; Sun, Y. H.; Wei, G. W.; Zhao, S. Geometric and potential driving formation and evolution of biomolecular surfaces J. Math. Biol. 2009, 59 (2) 193-231
    • (2009) J. Math. Biol. , vol.59 , Issue.2 , pp. 193-231
    • Bates, P.W.1    Chen, Z.2    Sun, Y.H.3    Wei, G.W.4    Zhao, S.5
  • 46
    • 77956414486 scopus 로고    scopus 로고
    • Differential geometry based solvation model I: Eulerian formulation
    • Chen, Z.; Baker, N. A.; Wei, G. W. Differential geometry based solvation model I: Eulerian formulation J. Comput. Phys. 2010, 229 (22) 8231-8258
    • (2010) J. Comput. Phys. , vol.229 , Issue.22 , pp. 8231-8258
    • Chen, Z.1    Baker, N.A.2    Wei, G.W.3
  • 48
    • 4644236471 scopus 로고    scopus 로고
    • Hydrophobic collapse in multidomain protein folding
    • Zhou, R. H.; Huang, X. H.; Margulis, C. J.; Berne, B. J. Hydrophobic collapse in multidomain protein folding Science 2004, 305 (5690) 1605-1609
    • (2004) Science , vol.305 , Issue.5690 , pp. 1605-1609
    • Zhou, R.H.1    Huang, X.H.2    Margulis, C.J.3    Berne, B.J.4
  • 49
    • 34147162778 scopus 로고
    • The Effect of Droplet Size on Surface Tension
    • Tolman, R. C. The Effect of Droplet Size on Surface Tension J. Chem. Phys. 1949, 17 (3) 333-337
    • (1949) J. Chem. Phys. , vol.17 , Issue.3 , pp. 333-337
    • Tolman, R.C.1
  • 50
    • 34250928962 scopus 로고
    • Volumen und Hydratationswrame der Ionen
    • Born, M. Volumen und Hydratationswrame der Ionen Z. Phys. 1920, 1, 45-48
    • (1920) Z. Phys. , vol.1 , pp. 45-48
    • Born, M.1
  • 51
    • 0033654297 scopus 로고    scopus 로고
    • Generalized born models of macromolecular solvation effects
    • Bashford, D.; Case, D. A. Generalized born models of macromolecular solvation effects Annu. Rev. Phys. Chem. 2000, 51, 129-152
    • (2000) Annu. Rev. Phys. Chem. , vol.51 , pp. 129-152
    • Bashford, D.1    Case, D.A.2
  • 52
    • 80054979521 scopus 로고    scopus 로고
    • Yukawa-field approximation of electrostatic free energy and dielectric boundary force
    • Cheng, H. B.; Cheng, L. T.; Li, B. Yukawa-field approximation of electrostatic free energy and dielectric boundary force Nonlinearity 2011, 24 (11) 3215-3236
    • (2011) Nonlinearity , vol.24 , Issue.11 , pp. 3215-3236
    • Cheng, H.B.1    Cheng, L.T.2    Li, B.3
  • 53
    • 84862908482 scopus 로고    scopus 로고
    • Dielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative Approach
    • Li, B.; Cheng, X. L.; Zhang, Z. F. Dielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative Approach Siam J. Appl. Math. 2011, 71 (6) 2093-2111
    • (2011) Siam J. Appl. Math. , vol.71 , Issue.6 , pp. 2093-2111
    • Li, B.1    Cheng, X.L.2    Zhang, Z.F.3
  • 55
    • 44749084234 scopus 로고
    • Fronts Propagating with Curvature-Dependent Speed - Algorithms Based on Hamilton-Jacobi Formulations
    • Osher, S.; Sethian, J. A. Fronts Propagating with Curvature-Dependent Speed-Algorithms Based on Hamilton-Jacobi Formulations J. Comput. Phys. 1988, 79 (1) 12-49
    • (1988) J. Comput. Phys. , vol.79 , Issue.1 , pp. 12-49
    • Osher, S.1    Sethian, J.A.2
  • 57
    • 84855723944 scopus 로고    scopus 로고
    • Schrödinger, LLC: New York.
    • Macromodel; Schrödinger, LLC: New York, 2011.
    • (2011) Macromodel
  • 58
    • 65549104427 scopus 로고    scopus 로고
    • Solubility and Molecular Conformations of n-Alkane Chains in Water
    • Ferguson, A. L.; Debenedetti, P. G.; Panagiotopoulos, A. Z. Solubility and Molecular Conformations of n-Alkane Chains in Water J. Phys. Chem. B 2009, 113 (18) 6405-6414
    • (2009) J. Phys. Chem. B , vol.113 , Issue.18 , pp. 6405-6414
    • Ferguson, A.L.1    Debenedetti, P.G.2    Panagiotopoulos, A.Z.3
  • 59
    • 34247324361 scopus 로고    scopus 로고
    • Surface tension of the most popular models of water by using the test-area simulation method
    • Vega, C.; de Miguel, E. Surface tension of the most popular models of water by using the test-area simulation method J. Chem. Phys. 2007, 126 (15) 154707
    • (2007) J. Chem. Phys. , vol.126 , Issue.15 , pp. 154707
    • Vega, C.1    De Miguel, E.2
  • 60
    • 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
  • 61
    • 38849144001 scopus 로고    scopus 로고
    • Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method
    • Khavrutskii, I. V.; Dzubiella, J.; McCammon, J. A. Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method J. Chem. Phys. 2008, 128 (4) 044106
    • (2008) J. Chem. Phys. , vol.128 , Issue.4 , pp. 044106
    • Khavrutskii, I.V.1    Dzubiella, J.2    McCammon, J.A.3
  • 62
    • 33846524439 scopus 로고    scopus 로고
    • Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding
    • Young, T.; Abel, R.; Kim, B.; Berne, B. J.; Friesner, R. A. Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding Proc. Natl. Acad. Sci. U. S. A. 2007, 104 (3) 808-813
    • (2007) Proc. Natl. Acad. Sci. U. S. A. , vol.104 , Issue.3 , pp. 808-813
    • Young, T.1    Abel, R.2    Kim, B.3    Berne, B.J.4    Friesner, R.A.5
  • 63
    • 0037317840 scopus 로고    scopus 로고
    • Inhibiting the p53-MDM2 interaction: An important target for cancer therapy
    • Chene, P. Inhibiting the p53-MDM2 interaction: An important target for cancer therapy Nat. Rev. Cancer 2003, 3 (2) 102-109
    • (2003) Nat. Rev. Cancer , vol.3 , Issue.2 , pp. 102-109
    • Chene, P.1
  • 64
    • 0842325666 scopus 로고    scopus 로고
    • Inhibition of the p53-MDM2 interaction: Targeting a protein-protein interface
    • Chene, P. Inhibition of the p53-MDM2 interaction: Targeting a protein-protein interface Mol. Cancer Res. 2004, 2 (1) 20-28
    • (2004) Mol. Cancer Res. , vol.2 , Issue.1 , pp. 20-28
    • Chene, P.1
  • 65
    • 0033592822 scopus 로고    scopus 로고
    • The alpha-helical FXX Phi Phi motif in p53: TAF interaction and discrimination by MDM2
    • Uesugi, M.; Verdine, G. L. The alpha-helical FXX Phi Phi motif in p53: TAF interaction and discrimination by MDM2 Proc. Natl. Acad. Sci. U. S. A. 1999, 96 (26) 14801-14806
    • (1999) Proc. Natl. Acad. Sci. U. S. A. , vol.96 , Issue.26 , pp. 14801-14806
    • Uesugi, M.1    Verdine, G.L.2
  • 67
    • 84874823835 scopus 로고    scopus 로고
    • Genetic gamble: drugs aim to make several types of cancer self-destruct. (accessed December 22).
    • Kolata, G. Genetic gamble: drugs aim to make several types of cancer self-destruct. http://www.nytimes.com/2012/12/23/health/new-drugs-aim-to-make- cells-destroy-cancer.html?pagewanted=all&-r=1& (accessed December 22, 2012).
    • (2012)
    • Kolata, G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.