메뉴 건너뛰기




Volumn 118, Issue 24, 2014, Pages 12929-12943

Aqueous amino acids and proteins near the surface of gold in hydrophilic and hydrophobic force fields

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; GOLD; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; PEPTIDES;

EID: 84903182937     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5030558     Document Type: Article
Times cited : (35)

References (73)
  • 1
    • 0030026989 scopus 로고
    • Protein Adsorption on Solid Surfaces
    • Hlady, V.; Buijs, J. Protein Adsorption on Solid Surfaces Curr. Opin. Biotechnol. 1994, 7, 72-77
    • (1994) Curr. Opin. Biotechnol. , vol.7 , pp. 72-77
    • Hlady, V.1    Buijs, J.2
  • 2
    • 1342302795 scopus 로고    scopus 로고
    • The Interaction of Proteins with Solid Surfaces
    • Gray, J. J. The Interaction of Proteins with Solid Surfaces Curr. Opin. Struct. Biol. 2004, 14, 110-115
    • (2004) Curr. Opin. Struct. Biol. , vol.14 , pp. 110-115
    • Gray, J.J.1
  • 6
    • 39749107963 scopus 로고    scopus 로고
    • Protein-Nanoparticle Interactions
    • Lynch, I.; Dawson, K. A. Protein-Nanoparticle Interactions Nanotoday 2008, 3, 40-47
    • (2008) Nanotoday , vol.3 , pp. 40-47
    • Lynch, I.1    Dawson, K.A.2
  • 7
    • 0000160454 scopus 로고
    • Experimental Relations of Gold (and Other Metals) to Light
    • Faraday, M. Experimental Relations of Gold (and Other Metals) to Light Philos. Trans. 1857, 147, 145-181
    • (1857) Philos. Trans. , vol.147 , pp. 145-181
    • Faraday, M.1
  • 8
    • 0030969778 scopus 로고    scopus 로고
    • Metal-Recognition by Repeating Polypeptides
    • Brown, S. Metal-Recognition by Repeating Polypeptides Nat. Biotechnol. 1997, 15, 269-272
    • (1997) Nat. Biotechnol. , vol.15 , pp. 269-272
    • Brown, S.1
  • 9
    • 0742321804 scopus 로고    scopus 로고
    • Gold Nanoparticles: Assembly, Supramolecular Chemistry, Quantum-Size-Related Properties, and Applications Toward Biology, Catalysis, and Nanotechnology
    • Daniel, M. C.; Astruc, D. Gold Nanoparticles: Assembly, Supramolecular Chemistry, Quantum-Size-Related Properties, and Applications Toward Biology, Catalysis, and Nanotechnology Chem. Rev. 2004, 104, 293-346
    • (2004) Chem. Rev. , vol.104 , pp. 293-346
    • Daniel, M.C.1    Astruc, D.2
  • 10
    • 67651233657 scopus 로고    scopus 로고
    • Gold Nanoparticles in Nanomedicine: Preparations, Imaging, Diagnostics, Therapies and Toxicity
    • Boisselier, E.; Astruc, D. Gold Nanoparticles in Nanomedicine: Preparations, Imaging, Diagnostics, Therapies and Toxicity Chem. Soc. Rev. 2009, 38, 1759-1782
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 1759-1782
    • Boisselier, E.1    Astruc, D.2
  • 11
    • 0028140707 scopus 로고
    • Intermolecular Forces and Energies between Ligands and Receptors
    • Moy, V.; FLorin, E.; Gaub, H. Intermolecular Forces and Energies Between Ligands and Receptors Science 1994, 266, 257-259
    • (1994) Science , vol.266 , pp. 257-259
    • Moy, V.1    Florin, E.2    Gaub, H.3
  • 12
    • 44449087047 scopus 로고    scopus 로고
    • Single-Molecule Force Spectroscopy: Optical Tweezers, Magnetic Tweezers and Atomic Force Microscopy
    • Naumn, K. C.; Nagy, A. Single-Molecule Force Spectroscopy: Optical Tweezers, Magnetic Tweezers and Atomic Force Microscopy Nat. Methods 2008, 5, 491-505
    • (2008) Nat. Methods , vol.5 , pp. 491-505
    • Naumn, K.C.1    Nagy, A.2
  • 14
    • 56549109784 scopus 로고    scopus 로고
    • Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials
    • Heinz, H.; Vaia, R. A.; Farmer, B. L.; Naik, R. R. Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials J. Phys. Chem. C 2008, 112, 17281-17290
    • (2008) J. Phys. Chem. C , vol.112 , pp. 17281-17290
    • Heinz, H.1    Vaia, R.A.2    Farmer, B.L.3    Naik, R.R.4
  • 15
    • 77954562476 scopus 로고    scopus 로고
    • Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations
    • Hoefling, M.; Iori, F.; Corni, S.; Gottschalk, K. E. Interaction of Amino Acids with the Au(111) Surface: Adsorption Free Energies from Molecular Dynamics Simulations Langmuir 2010, 26, 8347-8351
    • (2010) Langmuir , vol.26 , pp. 8347-8351
    • Hoefling, M.1    Iori, F.2    Corni, S.3    Gottschalk, K.E.4
  • 16
    • 77953183768 scopus 로고    scopus 로고
    • The Conformations of Amino Acids on a Gold(111) Surface
    • Hoefling, M.; Iori, F.; Corni, S.; Gottschalk, K. E. The Conformations of Amino Acids on a Gold(111) Surface ChemPhysChem 2010, 11, 1763-1767
    • (2010) ChemPhysChem , vol.11 , pp. 1763-1767
    • Hoefling, M.1    Iori, F.2    Corni, S.3    Gottschalk, K.E.4
  • 17
    • 79958162258 scopus 로고    scopus 로고
    • Interaction of β-Sheet Folds with a Gold Surface
    • Hoefling, M.; Monti, S.; Corni, S.; Gottschalk, K. E. Interaction of β-Sheet Folds with a Gold Surface PLoS One 2011, 6, 20925-20938
    • (2011) PLoS One , vol.6 , pp. 20925-20938
    • Hoefling, M.1    Monti, S.2    Corni, S.3    Gottschalk, K.E.4
  • 18
    • 68849090298 scopus 로고    scopus 로고
    • Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations
    • Verde, A. V.; Acres, J. M.; Maranas, J. K. Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations Biomacromolecules 2009, 10, 2118-2128
    • (2009) Biomacromolecules , vol.10 , pp. 2118-2128
    • Verde, A.V.1    Acres, J.M.2    Maranas, J.K.3
  • 19
    • 79958118196 scopus 로고    scopus 로고
    • Adsorption of Homopolypeptides on Gold Investigated Using Atomistic Molecular Dynamics
    • Verde, A. V.; Beltramo, P. J.; Maranas, J. K. Adsorption of Homopolypeptides on Gold Investigated Using Atomistic Molecular Dynamics Langmuir 2011, 27, 5918-5926
    • (2011) Langmuir , vol.27 , pp. 5918-5926
    • Verde, A.V.1    Beltramo, P.J.2    Maranas, J.K.3
  • 20
    • 0141862119 scopus 로고    scopus 로고
    • MD Simulation of a Plastocyanin Mutant Adsorbed onto a Gold Surface
    • Bizzarri, A. R.; Costantini, G.; Cannistraro, S. MD Simulation of a Plastocyanin Mutant Adsorbed onto a Gold Surface Biophys. Chem. 2003, 106, 111-123
    • (2003) Biophys. Chem. , vol.106 , pp. 111-123
    • Bizzarri, A.R.1    Costantini, G.2    Cannistraro, S.3
  • 21
    • 0345708206 scopus 로고    scopus 로고
    • A Combined Atomic Force Microscopy and Molecular Dynamics Simulation Study on a Plastocyanin Mutant Chemisorbed on a Gold Surface
    • Bizzarri, A. R.; Bonanni, B.; Costantini, G.; Cannistraro, S. A Combined Atomic Force Microscopy and Molecular Dynamics Simulation Study on a Plastocyanin Mutant Chemisorbed on a Gold Surface ChemPhysChem 2003, 4, 1189-1195
    • (2003) ChemPhysChem , vol.4 , pp. 1189-1195
    • Bizzarri, A.R.1    Bonanni, B.2    Costantini, G.3    Cannistraro, S.4
  • 22
    • 67650159736 scopus 로고    scopus 로고
    • GolP: An Atomistic Force-Field to Describe the Interaction of Proteins with Au(111) Surfaces in Water
    • Iori, F.; Di Felice, R.; Molinari, E.; Corni, S. GolP: An Atomistic Force-Field to Describe the Interaction of Proteins with Au(111) Surfaces in Water J. Comput. Chem. 2009, 30, 1465-1476
    • (2009) J. Comput. Chem. , vol.30 , pp. 1465-1476
    • Iori, F.1    Di Felice, R.2    Molinari, E.3    Corni, S.4
  • 23
    • 77950830266 scopus 로고    scopus 로고
    • Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations
    • Calzolari, A.; Cicero, G.; Cavazzoni, C.; Di Felice, R.; Catellani, A.; Corni, S. Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations J. Am. Chem. Soc. 2010, 132, 4790-4795
    • (2010) J. Am. Chem. Soc. , vol.132 , pp. 4790-4795
    • Calzolari, A.1    Cicero, G.2    Cavazzoni, C.3    Di Felice, R.4    Catellani, A.5    Corni, S.6
  • 24
    • 46449115547 scopus 로고    scopus 로고
    • Including Image Charge Effects in the Molecular Dynamics Simulations of Molecules on Metal Surfaces
    • Iori, F.; Corni, S. Including Image Charge Effects in the Molecular Dynamics Simulations of Molecules on Metal Surfaces J. Comput. Chem. 2008, 29, 1656-1666
    • (2008) J. Comput. Chem. , vol.29 , pp. 1656-1666
    • Iori, F.1    Corni, S.2
  • 25
    • 1842583284 scopus 로고    scopus 로고
    • Adsorption Modes of Cysteine on Au(111): Thiolate, Amino-Thiolate, Disulfide
    • Di Felice, R.; Selloni, R. Adsorption Modes of Cysteine on Au(111): Thiolate, Amino-Thiolate, Disulfide J. Chem. Phys. 2004, 120, 4906-4914
    • (2004) J. Chem. Phys. , vol.120 , pp. 4906-4914
    • Di Felice, R.1    Selloni, R.2
  • 26
    • 33748556866 scopus 로고    scopus 로고
    • Adsorption and in Situ Scanning Tunneling Microscopy of Cysteine on Au(111): Structure, Energy, and Tunneling Contrasts
    • Nazmutdinov, R. R.; Zhang, J.; Zinkicheva, T. T.; Manyurov, I. R.; Ulstrup, J. Adsorption and In Situ Scanning Tunneling Microscopy of Cysteine on Au(111): Structure, Energy, and Tunneling Contrasts Langmuir 2006, 22, 7556-7567
    • (2006) Langmuir , vol.22 , pp. 7556-7567
    • Nazmutdinov, R.R.1    Zhang, J.2    Zinkicheva, T.T.3    Manyurov, I.R.4    Ulstrup, J.5
  • 27
    • 84884193574 scopus 로고    scopus 로고
    • Amino Acids and Proteins at ZnOWater Interfaces in Molecular Dynamics Simulations
    • Nawrocki, G.; Cieplak, M. Amino Acids and Proteins at ZnOWater Interfaces in Molecular Dynamics Simulations Phys. Chem. Chem. Phys. 2013, 15, 13628-13636
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 13628-13636
    • Nawrocki, G.1    Cieplak, M.2
  • 28
    • 84896763586 scopus 로고    scopus 로고
    • Interactions of Aqueous Amino Acids and Proteins with the (110) Surface of ZnS in Molecular Dynamics Simulations
    • Nawrocki, G.; Cieplak, M. Interactions of Aqueous Amino Acids and Proteins with the (110) Surface of ZnS in Molecular Dynamics Simulations J. Chem. Phys. 2013, 140, 095101-095111
    • (2013) J. Chem. Phys. , vol.140 , pp. 095101-095111
    • Nawrocki, G.1    Cieplak, M.2
  • 32
    • 84903141638 scopus 로고    scopus 로고
    • private communication
    • Finot, E., private communication.
    • Finot, E.1
  • 33
    • 84875107285 scopus 로고    scopus 로고
    • A Hydrophobic Gold Surface Triggers Misfolding and Aggregation of the Amyloidogenic Josephin Domain in Monomeric Form, while Leaving Oligomers Unaffected
    • Apicella, A.; Soncini, M.; Deriu, M. A.; Natallelo, A.; Bonanomi, M.; Dellasega, D.; Tortora, P.; Regonesi, M. E.; Casari, C. S. A Hydrophobic Gold Surface Triggers Misfolding and Aggregation of the Amyloidogenic Josephin Domain in Monomeric Form, While Leaving Oligomers Unaffected PLoS One 2013, 8, 58794-58802
    • (2013) PLoS One , vol.8 , pp. 58794-58802
    • Apicella, A.1    Soncini, M.2    Deriu, M.A.3    Natallelo, A.4    Bonanomi, M.5    Dellasega, D.6    Tortora, P.7    Regonesi, M.E.8    Casari, C.S.9
  • 34
    • 0042975981 scopus 로고
    • The Wetting of Gold and Platinum by Water
    • Bewig, K. W.; Zisman, W. A. The Wetting of Gold and Platinum by Water J. Phys. Chem. 1965, 69, 4238-4242
    • (1965) J. Phys. Chem. , vol.69 , pp. 4238-4242
    • Bewig, K.W.1    Zisman, W.A.2
  • 36
    • 50849148584 scopus 로고
    • The Hydrophilic Nature of a Clean Gold Surface
    • Smith, T. The Hydrophilic Nature of a Clean Gold Surface J. Colloid Interface Sci. 1980, 75, 51-55
    • (1980) J. Colloid Interface Sci. , vol.75 , pp. 51-55
    • Smith, T.1
  • 37
    • 0021481142 scopus 로고
    • Wettability of Clean Metal Surfaces
    • Schrader, M. E. Wettability of Clean Metal Surfaces J. Colloid Interface Sci. 1984, 100, 372-380
    • (1984) J. Colloid Interface Sci. , vol.100 , pp. 372-380
    • Schrader, M.E.1
  • 38
    • 0028485639 scopus 로고
    • Molecular Origins of Friction: The Force on Adsorbed Layers
    • Cieplak, M.; Smith, E. D.; Robbins, M. O. Molecular Origins of Friction: The Force on Adsorbed Layers Science 1994, 265, 1209-1212
    • (1994) Science , vol.265 , pp. 1209-1212
    • Cieplak, M.1    Smith, E.D.2    Robbins, M.O.3
  • 39
    • 0002218590 scopus 로고
    • Xe Monolayer Adsorption on Ag(111) - Statistical Mechanics
    • Bruch, L. W.; Phillips, J. M. Xe Monolayer Adsorption on Ag(111)-Statistical Mechanics Surf. Sci. 1980, 91, 1-23
    • (1980) Surf. Sci. , vol.91 , pp. 1-23
    • Bruch, L.W.1    Phillips, J.M.2
  • 40
    • 0002696032 scopus 로고
    • Nanotribology of a Kr Monolayer: A Quartz-Crystal Microbalance Study of Atomic-Scale Friction
    • Krim, J.; Solina, D. H.; Chiarello, R. Nanotribology of a Kr Monolayer: A Quartz-Crystal Microbalance Study of Atomic-Scale Friction Phys. Rev. Lett. 1991, 66, 181-185
    • (1991) Phys. Rev. Lett. , vol.66 , pp. 181-185
    • Krim, J.1    Solina, D.H.2    Chiarello, R.3
  • 41
    • 0036392715 scopus 로고    scopus 로고
    • Genetically Engineered Gold-Binding Polypeptides: Structure Prediction and Molecular Dynamics
    • Braun, R.; Sarikaya, M.; Schulten, K. Genetically Engineered Gold-Binding Polypeptides: Structure Prediction and Molecular Dynamics J. Biomater. Sci., Polym. Ed. 2002, 13, 747-757
    • (2002) J. Biomater. Sci., Polym. Ed. , vol.13 , pp. 747-757
    • Braun, R.1    Sarikaya, M.2    Schulten, K.3
  • 42
    • 67650457696 scopus 로고    scopus 로고
    • Nature of Molecular Interactions of Peptides with Gold, Palladium, and PdAu Bimetal Surfaces in Aqueous Solution
    • Heinz, H.; Farmer, B. L.; Pandey, R. B.; Slocik, J. M.; Patnaik, S. S.; Pachter, R.; Naik, R. R. Nature of Molecular Interactions of Peptides with Gold, Palladium, and PdAu Bimetal Surfaces in Aqueous Solution J. Am. Chem. Soc. 2009, 131, 97049714
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 97049714
    • Heinz, H.1    Farmer, B.L.2    Pandey, R.B.3    Slocik, J.M.4    Patnaik, S.S.5    Pachter, R.6    Naik, R.R.7
  • 44
    • 0031354552 scopus 로고    scopus 로고
    • Superstructures of Cyclodextrin Derivatives on Au(111): A Combined Random Planting - Molecular Dynamics Approach
    • Qian, J.; Hentschke, R.; Knoll, W. Superstructures of Cyclodextrin Derivatives on Au(111): A Combined Random Planting-Molecular Dynamics Approach Langmuir 1997, 13, 7092-7098
    • (1997) Langmuir , vol.13 , pp. 7092-7098
    • Qian, J.1    Hentschke, R.2    Knoll, W.3
  • 45
    • 0042041206 scopus 로고
    • UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations
    • Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A., III; Skiff, W. M. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024-10035
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard III, W.A.4    Skiff, W.M.5
  • 47
    • 0029912748 scopus 로고    scopus 로고
    • Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
    • Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 48
    • 0002775934 scopus 로고
    • Interaction Models for Water in Relation to Protein Hydration
    • Pullman, B. D. Reidel Publishing Company: Dordrecht
    • Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. Interaction Models for Water in Relation to Protein Hydration. Intermolecular Forces; Pullman, B., Ed.; D. Reidel Publishing Company: Dordrecht, 1981; pp 331-342.
    • (1981) Intermolecular Forces , pp. 331-342
    • Berendsen, H.J.C.1    Postma, J.P.M.2    Van Gunsteren, W.F.3    Hermans, J.4
  • 49
    • 0030838154 scopus 로고    scopus 로고
    • Diffusion of a Butanethiolate Molecule on a Au{111} Surface
    • Mahaffy, R.; Bhatia, R.; Garrison, B. J. Diffusion of a Butanethiolate Molecule on a Au{111} Surface J. Phys. Chem. B 1997, 101, 771-773
    • (1997) J. Phys. Chem. B , vol.101 , pp. 771-773
    • Mahaffy, R.1    Bhatia, R.2    Garrison, B.J.3
  • 50
    • 0033077694 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Benzenethiolate and Benzyl Mercaptide on Au(111)
    • Jung, H. H.; Won, Y. D.; Shin, S.; Kim, K. Molecular Dynamics Simulation of Benzenethiolate and Benzyl Mercaptide on Au(111) Langmuir 1999, 15, 1147-1154
    • (1999) Langmuir , vol.15 , pp. 1147-1154
    • Jung, H.H.1    Won, Y.D.2    Shin, S.3    Kim, K.4
  • 54
    • 84887589446 scopus 로고    scopus 로고
    • Favorable Adsorption of Capped Amino Acids on Graphene Substrate Driven by Desolvation Effect
    • Dragneva, N.; Floriano, W. B.; Stauffer, D.; Mawhinney, R. C.; Fanchini, G.; Rubel, O. Favorable Adsorption of Capped Amino Acids on Graphene Substrate Driven by Desolvation Effect J. Chem. Phys. 2013, 139, 174711-174717
    • (2013) J. Chem. Phys. , vol.139 , pp. 174711-174717
    • Dragneva, N.1    Floriano, W.B.2    Stauffer, D.3    Mawhinney, R.C.4    Fanchini, G.5    Rubel, O.6
  • 55
    • 33646471468 scopus 로고
    • Statistical Mechanics of Fluid Mixtures
    • Kirkwood, J. G. Statistical Mechanics of Fluid Mixtures J. Chem. Phys. 1935, 3, 300-313
    • (1935) J. Chem. Phys. , vol.3 , pp. 300-313
    • Kirkwood, J.G.1
  • 56
    • 84986519238 scopus 로고
    • The Weighted Histogram Analysis Method for Free-Energy Calculations of Biomolecules. I. the method
    • Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. The Weighted Histogram Analysis Method for Free-Energy Calculations of Biomolecules. I. The method J. Comput. Chem. 1992, 13, 1011-1021
    • (1992) J. Comput. Chem. , vol.13 , pp. 1011-1021
    • Kumar, S.1    Bouzida, D.2    Swendsen, R.H.3    Kollman, P.A.4    Rosenberg, J.M.5
  • 57
    • 75749150524 scopus 로고    scopus 로고
    • Assessing the Stability of Alzheimer's Amyloid Protofibrils Using Molecular Dynamics
    • Lemkul, J. A.; Bevan, D. R. Assessing the Stability of Alzheimer's Amyloid Protofibrils Using Molecular Dynamics J. Phys. Chem. B 2010, 114, 1652-1660
    • (2010) J. Phys. Chem. B , vol.114 , pp. 1652-1660
    • Lemkul, J.A.1    Bevan, D.R.2
  • 58
    • 0036140611 scopus 로고    scopus 로고
    • Determining the Shear Viscosity of Model Liquids from Molecular Dynamics Simulations
    • Hess, B. J. Determining the Shear Viscosity of Model Liquids from Molecular Dynamics Simulations J. Chem. Phys. 2002, 116, 209-217
    • (2002) J. Chem. Phys. , vol.116 , pp. 209-217
    • Hess, B.J.1
  • 59
    • 0033344822 scopus 로고    scopus 로고
    • Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading
    • de Ruijter, M. J.; Blake, T. D.; De Coninck, J. Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading Langmuir 1999, 15, 7836-7847
    • (1999) Langmuir , vol.15 , pp. 7836-7847
    • De Ruijter, M.J.1    Blake, T.D.2    De Coninck, J.3
  • 60
    • 0037434746 scopus 로고    scopus 로고
    • On the WaterCarbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes
    • Werder, T.; Walther, J. H.; Jaffe, R. L.; Halicioglu, T.; Koumoutsakos, P. On the WaterCarbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes J. Phys. Chem. B 2003, 107, 1345-1352
    • (2003) J. Phys. Chem. B , vol.107 , pp. 1345-1352
    • Werder, T.1    Walther, J.H.2    Jaffe, R.L.3    Halicioglu, T.4    Koumoutsakos, P.5
  • 61
    • 42449131441 scopus 로고    scopus 로고
    • Adsorption Mechanism of Water Molecules Surrounding Au Nanoparticles of Different Sizes
    • Chang, C. I.; Lee, W. J.; Young, T. F.; Ju, S. P.; Chang, C. W.; Chen, H. L.; Chang, J. G. Adsorption Mechanism of Water Molecules Surrounding Au Nanoparticles of Different Sizes J. Chem. Phys. 2008, 128, 154703-154712
    • (2008) J. Chem. Phys. , vol.128 , pp. 154703-154712
    • Chang, C.I.1    Lee, W.J.2    Young, T.F.3    Ju, S.P.4    Chang, C.W.5    Chen, H.L.6    Chang, J.G.7
  • 62
    • 0033354167 scopus 로고    scopus 로고
    • Applications of Statistical Mechanics in Subcontinuum Fluid Dynamics
    • Cieplak, M.; Koplik, J.; Banavar, J. R. Applications of Statistical Mechanics in Subcontinuum Fluid Dynamics Phys. A 1999, 274, 281-293
    • (1999) Phys. A , vol.274 , pp. 281-293
    • Cieplak, M.1    Koplik, J.2    Banavar, J.R.3
  • 63
    • 0035132493 scopus 로고    scopus 로고
    • Boundary Conditions at a Fluid - Solid Interface
    • Cieplak, M.; Koplik, J.; Banavar, J. R. Boundary Conditions at a Fluid-Solid Interface Phys. Rev. Lett. 2001, 86, 803-806
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 803-806
    • Cieplak, M.1    Koplik, J.2    Banavar, J.R.3
  • 64
    • 84883172223 scopus 로고    scopus 로고
    • Conformational Behavior of Genetically-Engineered Dodecapeptides as a Determinant of Binding Affinity for Gold
    • Corni, S.; Hnilova, M.; Tamerler, C.; Sarikaya, M. Conformational Behavior of Genetically-Engineered Dodecapeptides as a Determinant of Binding Affinity for Gold J. Phys. Chem. C 2013, 117, 16990-17003
    • (2013) J. Phys. Chem. C , vol.117 , pp. 16990-17003
    • Corni, S.1    Hnilova, M.2    Tamerler, C.3    Sarikaya, M.4
  • 66
    • 79951619727 scopus 로고    scopus 로고
    • Free Energy Calculations of the Adsorption of Amino-Acid Analogues at the Aqueous Titania Interface
    • Monti, S.; Walsh, T. R. Free Energy Calculations of the Adsorption of Amino-Acid Analogues at the Aqueous Titania Interface J. Phys. Chem. C 2010, 114, 22197-22206
    • (2010) J. Phys. Chem. C , vol.114 , pp. 22197-22206
    • Monti, S.1    Walsh, T.R.2
  • 67
    • 84856552013 scopus 로고    scopus 로고
    • Facet Selectivity of Binding on Quartz Surfaces: Free Energy Calculations of Amino-Acid Analogue Adsorption
    • Wright, L. B.; Walsh, T. R. Facet Selectivity of Binding on Quartz Surfaces: Free Energy Calculations of Amino-Acid Analogue Adsorption J. Phys. Chem. C 2012, 116, 2933-2945
    • (2012) J. Phys. Chem. C , vol.116 , pp. 2933-2945
    • Wright, L.B.1    Walsh, T.R.2
  • 68
    • 0020475449 scopus 로고
    • A Simple Method for Displaying the Hydroptahic Character of a Protein
    • Kyte, J.; Doolittle, R. F. A Simple Method for Displaying the Hydroptahic Character of a Protein J. Mol. Biol. 1982, 157, 105-132
    • (1982) J. Mol. Biol. , vol.157 , pp. 105-132
    • Kyte, J.1    Doolittle, R.F.2
  • 69
    • 62349101755 scopus 로고    scopus 로고
    • Adsorption of Peptides (A3, Flg, Pd2, Pd4) on Gold and Palladium Surfaces by a Coarse-Grained Monte Carlo Simulation
    • Pandey, R. B.; Heinz, H.; Feng, J.; Farmer, B. L.; Slocik, J. M.; Drummyc, L. F.; Naikc, R. R. Adsorption of Peptides (A3, Flg, Pd2, Pd4) on Gold and Palladium Surfaces by a Coarse-Grained Monte Carlo Simulation Phys. Chem. Chem. Phys. 2009, 11, 1989-2001
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 1989-2001
    • Pandey, R.B.1    Heinz, H.2    Feng, J.3    Farmer, B.L.4    Slocik, J.M.5    Drummyc, L.F.6    Naikc, R.R.7
  • 70
    • 79951860563 scopus 로고    scopus 로고
    • Adsorption Mechanism of Single Amino Acid and Surfactant Molecules to Au 111 Surfaces in Aqueous Solution: Design Rules for Metal-Binding Molecules
    • Feng, J.; Pandey, R. B.; Berry, R. J.; Farmer, B. L.; Naikc, R. R.; Heinz, H. Adsorption Mechanism of Single Amino Acid and Surfactant Molecules to Au 111 Surfaces in Aqueous Solution: Design Rules for Metal-Binding Molecules Soft Matter 2011, 7, 2113-2120
    • (2011) Soft Matter , vol.7 , pp. 2113-2120
    • Feng, J.1    Pandey, R.B.2    Berry, R.J.3    Farmer, B.L.4    Naikc, R.R.5    Heinz, H.6
  • 71
    • 68949107624 scopus 로고    scopus 로고
    • Secondary Structure Propensities in Peptide Folding Simulations: A Systematic Comparison of Molecular Mechanics Interaction Schemes
    • Matthes, D.; de Groot, B. L. Secondary Structure Propensities in Peptide Folding Simulations: A Systematic Comparison of Molecular Mechanics Interaction Schemes Biophys. J. 2009, 97, 599608
    • (2009) Biophys. J. , vol.97 , pp. 599608
    • Matthes, D.1    De Groot, B.L.2
  • 72
    • 79959720287 scopus 로고    scopus 로고
    • How Robust are Protein Folding Simulations with Respect to Force Field Parametrization?
    • Piana, S.; Lindorff-Larsen, K.; Shaw, D. E. How Robust are Protein Folding Simulations with Respect to Force Field Parametrization? Biophys. J. 2011, 100, L47-L49
    • (2011) Biophys. J. , vol.100
    • Piana, S.1    Lindorff-Larsen, K.2    Shaw, D.E.3
  • 73
    • 84865088597 scopus 로고    scopus 로고
    • Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations
    • Cino, E. A.; Choy, W.-Y.; Karttunen, M. Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations JCTC 2012, 2725-2740
    • (2012) JCTC , pp. 2725-2740
    • Cino, E.A.1    Choy, W.-Y.2    Karttunen, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.