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Volumn 118, Issue 37, 2014, Pages 21589-21598

Facet selectivity of ligands on silver nanoplates: Molecular mechanics study

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BINDING ENERGY; CARBOXYLATION; COLLOIDS; FREE ENERGY; MOLECULAR MECHANICS; NANOSTRUCTURES;

EID: 84920271136     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp503319s     Document Type: Article
Times cited : (18)

References (89)
  • 1
    • 18044387790 scopus 로고    scopus 로고
    • Chemistry and Properties of Nanocrystals of Different Shapes
    • Burda, C.; Chen, X. B.; Narayanan, R.; El-Sayed, M. A. Chemistry and Properties of Nanocrystals of Different Shapes Chem. Rev. 2005, 105 (4) 1025-1102
    • (2005) Chem. Rev. , vol.105 , Issue.4 , pp. 1025-1102
    • Burda, C.1    Chen, X.B.2    Narayanan, R.3    El-Sayed, M.A.4
  • 2
    • 0035875033 scopus 로고    scopus 로고
    • Linearly Polarized Emission from Colloidal Semiconductor Quantum Rods
    • Hu, J. T.; Li, L. S.; Yang, W. D.; Manna, L.; Wang, L. W.; Alivisatos, A. P. Linearly Polarized Emission from Colloidal Semiconductor Quantum Rods Science 2001, 292 (5524) 2060-2063
    • (2001) Science , vol.292 , Issue.5524 , pp. 2060-2063
    • Hu, J.T.1    Li, L.S.2    Yang, W.D.3    Manna, L.4    Wang, L.W.5    Alivisatos, A.P.6
  • 3
    • 0141929384 scopus 로고    scopus 로고
    • Controlling Anisotropic Nanoparticle Growth Through Plasmon Excitation
    • Jin, R. C.; Cao, Y. C.; Hao, E. C.; Metraux, G. S.; Schatz, G. C.; Mirkin, C. A. Controlling Anisotropic Nanoparticle Growth Through Plasmon Excitation Nature 2003, 425 (6957) 487-490
    • (2003) Nature , vol.425 , Issue.6957 , pp. 487-490
    • Jin, R.C.1    Cao, Y.C.2    Hao, E.C.3    Metraux, G.S.4    Schatz, G.C.5    Mirkin, C.A.6
  • 5
    • 0034003509 scopus 로고    scopus 로고
    • Oxidation of Ethylene Catalyzed by Colloidal Dispersions of Poly(Sodium Acrylate)-Protected Silver Nanoclusters
    • Shiraishi, Y.; Toshima, N. Oxidation of Ethylene Catalyzed by Colloidal Dispersions of Poly(Sodium Acrylate)-Protected Silver Nanoclusters Colloids Surf., A 2000, 169 (1-3) 59-66
    • (2000) Colloids Surf., A , vol.169 , Issue.13 , pp. 59-66
    • Shiraishi, Y.1    Toshima, N.2
  • 6
    • 25844502501 scopus 로고    scopus 로고
    • Magnetic Nanoparticles: Applications beyond Data Storage
    • Reiss, G.; Hutten, A. Magnetic Nanoparticles: Applications Beyond Data Storage Nat. Mater. 2005, 4 (10) 725-726
    • (2005) Nat. Mater. , vol.4 , Issue.10 , pp. 725-726
    • Reiss, G.1    Hutten, A.2
  • 7
    • 0035976558 scopus 로고    scopus 로고
    • Photoinduced Conversion of Silver Nanospheres to Nanoprisms
    • Jin, R. C.; Cao, Y. W.; Mirkin, C. A.; Kelly, K. L.; Schatz, G. C.; Zheng, J. G. Photoinduced Conversion of Silver Nanospheres to Nanoprisms Science 2001, 294 (5548) 1901-1903
    • (2001) Science , vol.294 , Issue.5548 , pp. 1901-1903
    • Jin, R.C.1    Cao, Y.W.2    Mirkin, C.A.3    Kelly, K.L.4    Schatz, G.C.5    Zheng, J.G.6
  • 8
    • 0033953433 scopus 로고    scopus 로고
    • Single-Target Molecule Detection with Nonbleaching Multicolor Optical Immunolabels
    • Schultz, S.; Smith, D. R.; Mock, J. J.; Schultz, D. A. Single-Target Molecule Detection with Nonbleaching Multicolor Optical Immunolabels Proc. Natl. Acad. Sci. U.S.A. 2000, 97 (3) 996-1001
    • (2000) Proc. Natl. Acad. Sci. U.S.A. , vol.97 , Issue.3 , pp. 996-1001
    • Schultz, S.1    Smith, D.R.2    Mock, J.J.3    Schultz, D.A.4
  • 9
    • 77951523537 scopus 로고    scopus 로고
    • Surface Plasmon-Enhanced Light-Emitting Diodes Using Silver Nanoparticles Embedded in p-GaN
    • Cho, C. Y.; Kwon, M. K.; Lee, S. J.; Han, S. H.; Kang, J. W.; Kang, S. E.; Lee, D. Y.; Park, S. J. Surface Plasmon-Enhanced Light-Emitting Diodes Using Silver Nanoparticles Embedded in p-GaN Nanotechnology 2010, 21 (20) 5
    • (2010) Nanotechnology , vol.21 , Issue.20 , pp. 5
    • Cho, C.Y.1    Kwon, M.K.2    Lee, S.J.3    Han, S.H.4    Kang, J.W.5    Kang, S.E.6    Lee, D.Y.7    Park, S.J.8
  • 10
    • 0000370720 scopus 로고    scopus 로고
    • Synthesis and Characterization of Truncated Triangular Silver Nanoplates
    • Chen, S. H.; Carroll, D. L. Synthesis and Characterization of Truncated Triangular Silver Nanoplates Nano Lett. 2002, 2 (9) 1003-1007
    • (2002) Nano Lett. , vol.2 , Issue.9 , pp. 1003-1007
    • Chen, S.H.1    Carroll, D.L.2
  • 11
    • 0141744866 scopus 로고    scopus 로고
    • Transformation of Silver Nanospheres into Nanobelts and Triangular Nanoplates Through a Thermal Process
    • Sun, Y. G.; Mayers, B.; Xia, Y. N. Transformation of Silver Nanospheres Into Nanobelts and Triangular Nanoplates Through a Thermal Process Nano Lett. 2003, 3 (5) 675-679
    • (2003) Nano Lett. , vol.3 , Issue.5 , pp. 675-679
    • Sun, Y.G.1    Mayers, B.2    Xia, Y.N.3
  • 12
    • 34250776026 scopus 로고    scopus 로고
    • Synthesis of Silver Nanoplates at High Yields by Slowing Down the Polyol Reduction of Silver Nitrate with Polyacrylamide
    • Xiong, Y. J.; Siekkinen, A. R.; Wang, J. G.; Yin, Y. D.; Kim, M. J.; Xia, Y. N. Synthesis of Silver Nanoplates at High Yields by Slowing Down the Polyol Reduction of Silver Nitrate with Polyacrylamide J. Mater. Chem. 2007, 17 (25) 2600-2602
    • (2007) J. Mater. Chem. , vol.17 , Issue.25 , pp. 2600-2602
    • Xiong, Y.J.1    Siekkinen, A.R.2    Wang, J.G.3    Yin, Y.D.4    Kim, M.J.5    Xia, Y.N.6
  • 13
    • 36049040410 scopus 로고    scopus 로고
    • Surfactantless Synthesis of Silver Nanoplates and Their Application in SERS
    • Sun, Y.; Wiederrecht, G. P. Surfactantless Synthesis of Silver Nanoplates and Their Application in SERS Small 2007, 3 (11) 1964-1975
    • (2007) Small , vol.3 , Issue.11 , pp. 1964-1975
    • Sun, Y.1    Wiederrecht, G.P.2
  • 14
    • 61549112797 scopus 로고    scopus 로고
    • Trapeziform Ag Nanosheet Arrays Induced by Electrochemical Deposition on Au-Coated Substrate
    • Liu, G.; Cai, W.; Liang, C. Trapeziform Ag Nanosheet Arrays Induced by Electrochemical Deposition on Au-Coated Substrate Cryst. Growth Des. 2008, 8 (8) 2748-2752
    • (2008) Cryst. Growth Des. , vol.8 , Issue.8 , pp. 2748-2752
    • Liu, G.1    Cai, W.2    Liang, C.3
  • 15
    • 34249827595 scopus 로고    scopus 로고
    • Structural Defects and Their Role in the Growth of Ag Triangular Nanoplates
    • Rocha, T. C. R.; Zanchet, D. Structural Defects and Their Role in the Growth of Ag Triangular Nanoplates J. Phys. Chem. C 2007, 111 (19) 6989-6993
    • (2007) J. Phys. Chem. C , vol.111 , Issue.19 , pp. 6989-6993
    • Rocha, T.C.R.1    Zanchet, D.2
  • 16
    • 42649089066 scopus 로고    scopus 로고
    • Preparation of Triangular and Hexagonal Silver Nanoplates on the Surface of Quartz Substrate
    • Jia, H. Y.; Zeng, J. B.; An, J.; Song, W.; Xu, W. Q.; Zhao, B. Preparation of Triangular and Hexagonal Silver Nanoplates on the Surface of Quartz Substrate Thin Solid Films 2008, 516 (15) 5004-5009
    • (2008) Thin Solid Films , vol.516 , Issue.15 , pp. 5004-5009
    • Jia, H.Y.1    Zeng, J.B.2    An, J.3    Song, W.4    Xu, W.Q.5    Zhao, B.6
  • 17
    • 0345119041 scopus 로고    scopus 로고
    • Silver Nanodisk Growth by Surface Plasmon Enhanced Photoreduction of Adsorbed Ag+
    • Maillard, M.; Huang, P. R.; Brus, L. Silver Nanodisk Growth by Surface Plasmon Enhanced Photoreduction of Adsorbed Ag+ Nano Lett. 2003, 3 (11) 1611-1615
    • (2003) Nano Lett. , vol.3 , Issue.11 , pp. 1611-1615
    • Maillard, M.1    Huang, P.R.2    Brus, L.3
  • 18
    • 0037799343 scopus 로고    scopus 로고
    • Triangular Nanoplates of Silver: Synthesis, Characterization, and Use as Sacrificial Templates for Generating Triangular Nanorings of Gold
    • Sun, Y. G.; Xia, Y. N. Triangular Nanoplates of Silver: Synthesis, Characterization, and Use as Sacrificial Templates for Generating Triangular Nanorings of Gold Adv. Mater. 2003, 15 (9) 695-699
    • (2003) Adv. Mater. , vol.15 , Issue.9 , pp. 695-699
    • Sun, Y.G.1    Xia, Y.N.2
  • 19
    • 46049090979 scopus 로고    scopus 로고
    • Mechanistic Study of Photomediated Triangular Silver Nanoprism Growth
    • Xue, C.; Metraux, G. S.; Millstone, J. E.; Mirkin, C. A. Mechanistic Study of Photomediated Triangular Silver Nanoprism Growth J. Am. Chem. Soc. 2008, 130 (26) 8337-8344
    • (2008) J. Am. Chem. Soc. , vol.130 , Issue.26 , pp. 8337-8344
    • Xue, C.1    Metraux, G.S.2    Millstone, J.E.3    Mirkin, C.A.4
  • 20
    • 77956260080 scopus 로고    scopus 로고
    • Photomediated Synthesis of Silver Triangular Bipyramids and Prisms: The Effect of pH and BSPP
    • Zhang, J. A.; Langille, M. R.; Mirkin, C. A. Photomediated Synthesis of Silver Triangular Bipyramids and Prisms: The Effect of pH and BSPP J. Am. Chem. Soc. 2010, 132 (35) 12502-12510
    • (2010) J. Am. Chem. Soc. , vol.132 , Issue.35 , pp. 12502-12510
    • Zhang, J.A.1    Langille, M.R.2    Mirkin, C.A.3
  • 21
    • 4644267054 scopus 로고    scopus 로고
    • Ultrasonic-Assisted Synthesis of Monodisperse Single-Crystalline Silver Nanoplates and Gold Nanorings
    • Jiang, L. P.; Xu, S.; Zhu, J. M.; Zhang, J. R.; Zhu, J. J.; Chen, H. Y. Ultrasonic-Assisted Synthesis of Monodisperse Single-Crystalline Silver Nanoplates and Gold Nanorings Inorg. Chem. 2004, 43 (19) 5877-5883
    • (2004) Inorg. Chem. , vol.43 , Issue.19 , pp. 5877-5883
    • Jiang, L.P.1    Xu, S.2    Zhu, J.M.3    Zhang, J.R.4    Zhu, J.J.5    Chen, H.Y.6
  • 22
    • 33745853174 scopus 로고    scopus 로고
    • Reduction by the end groups of poly(vinyl pyrrolidone): A New and Versatile Route to the Kinetically Controlled Synthesis of Ag Triangular Nanoplates
    • Washio, I.; Xiong, Y.; Yin, Y.; Xia, Y. Reduction by the end groups of poly(vinyl pyrrolidone): A New and Versatile Route to the Kinetically Controlled Synthesis of Ag Triangular Nanoplates Adv. Mater. 2006, 18 (13) 1745-1749
    • (2006) Adv. Mater. , vol.18 , Issue.13 , pp. 1745-1749
    • Washio, I.1    Xiong, Y.2    Yin, Y.3    Xia, Y.4
  • 24
    • 33847202162 scopus 로고    scopus 로고
    • Synthesis and Self-Assembly of Monodisperse Silver-Nanocrystal-Doped Silica Particles
    • Chen, D.; Li, L.; Liu, J.; Qi, S.; Tang, F.; Ren, X.; Wu, W.; Ren, J.; Zhang, L. Synthesis and Self-Assembly of Monodisperse Silver-Nanocrystal-Doped Silica Particles J. Colloid Interface Sci. 2007, 308 (2) 351-355
    • (2007) J. Colloid Interface Sci. , vol.308 , Issue.2 , pp. 351-355
    • Chen, D.1    Li, L.2    Liu, J.3    Qi, S.4    Tang, F.5    Ren, X.6    Wu, W.7    Ren, J.8    Zhang, L.9
  • 25
    • 18444375558 scopus 로고    scopus 로고
    • Gold Hollow Nanospheres: Tunable Surface Plasmon Resonance Controlled by Interior-Cavity Sizes
    • Liang, H. P.; Wan, L. J.; Bai, C. L.; Jiang, L. Gold Hollow Nanospheres: Tunable Surface Plasmon Resonance Controlled by Interior-Cavity Sizes J. Phys. Chem. B 2005, 109 (16) 7795-7800
    • (2005) J. Phys. Chem. B , vol.109 , Issue.16 , pp. 7795-7800
    • Liang, H.P.1    Wan, L.J.2    Bai, C.L.3    Jiang, L.4
  • 26
    • 0037176282 scopus 로고    scopus 로고
    • Synthesis of Silver Nanodisks Using Polystyrene Mesospheres as Templates
    • Hao, E. C.; Kelly, K. L.; Hupp, J. T.; Schatz, G. C. Synthesis of Silver Nanodisks Using Polystyrene Mesospheres as Templates J. Am. Chem. Soc. 2002, 124 (51) 15182-15183
    • (2002) J. Am. Chem. Soc. , vol.124 , Issue.51 , pp. 15182-15183
    • Hao, E.C.1    Kelly, K.L.2    Hupp, J.T.3    Schatz, G.C.4
  • 27
    • 84855441954 scopus 로고    scopus 로고
    • Monitoring the Shape Evolution of Silver Nanoplates: A Marker Study
    • Goebl, J.; Zhang, Q.; He, L.; Yin, Y. D. Monitoring the Shape Evolution of Silver Nanoplates: A Marker Study Angew. Chem., Int. Ed. 2012, 51 (2) 552-555
    • (2012) Angew. Chem., Int. Ed. , vol.51 , Issue.2 , pp. 552-555
    • Goebl, J.1    Zhang, Q.2    He, L.3    Yin, Y.D.4
  • 28
    • 78650135538 scopus 로고    scopus 로고
    • Seeded Growth of Uniform Ag Nanoplates with High Aspect Ratio and Widely Tunable Surface Plasmon Bands
    • Zhang, Q.; Hu, Y.; Guo, S.; Goebl, J.; Yin, Y. Seeded Growth of Uniform Ag Nanoplates with High Aspect Ratio and Widely Tunable Surface Plasmon Bands Nano Lett. 2010, 10 (12) 5037-5042
    • (2010) Nano Lett. , vol.10 , Issue.12 , pp. 5037-5042
    • Zhang, Q.1    Hu, Y.2    Guo, S.3    Goebl, J.4    Yin, Y.5
  • 29
    • 83055179290 scopus 로고    scopus 로고
    • A Systematic Study of the Synthesis of Silver Nanoplates: Is Citrate a "magic" Reagent?
    • Zhang, Q.; Li, N.; Goebl, J.; Lu, Z.; Yin, Y. A Systematic Study of the Synthesis of Silver Nanoplates: Is Citrate a "Magic" Reagent? J. Am. Chem. Soc. 2011, 133 (46) 18931-18939
    • (2011) J. Am. Chem. Soc. , vol.133 , Issue.46 , pp. 18931-18939
    • Zhang, Q.1    Li, N.2    Goebl, J.3    Lu, Z.4    Yin, Y.5
  • 30
    • 44449131378 scopus 로고    scopus 로고
    • Shape-Controlled Synthesis of Silver Nanoparticles: Ab initio Study of Preferential Surface Coordination with Citric Acid
    • Kilin, D. S.; Prezhdo, O. V.; Xia, Y. Shape-Controlled Synthesis of Silver Nanoparticles: Ab initio Study of Preferential Surface Coordination With Citric Acid Chem. Phys. Lett. 2008, 458 (1-3) 113-116
    • (2008) Chem. Phys. Lett. , vol.458 , Issue.13 , pp. 113-116
    • Kilin, D.S.1    Prezhdo, O.V.2    Xia, Y.3
  • 31
    • 84856966014 scopus 로고    scopus 로고
    • Adsorption of Polyvinylpyrrolidone on Ag Surfaces: Insight into a Structure-Directing Agent
    • Al-Saidi, W. A.; Feng, H.; Fichthorn, K. A. Adsorption of Polyvinylpyrrolidone on Ag Surfaces: Insight into a Structure-Directing Agent Nano Lett. 2012, 12 (2) 997-1001
    • (2012) Nano Lett. , vol.12 , Issue.2 , pp. 997-1001
    • Al-Saidi, W.A.1    Feng, H.2    Fichthorn, K.A.3
  • 32
    • 0141853301 scopus 로고    scopus 로고
    • Polyol Synthesis of Uniform Silver Nanowires: A Plausible Growth Mechanism and the Supporting Evidence
    • Sun, Y. G.; Mayers, B.; Herricks, T.; Xia, Y. N. Polyol Synthesis of Uniform Silver Nanowires: A Plausible Growth Mechanism and the Supporting Evidence Nano Lett. 2003, 3 (7) 955-960
    • (2003) Nano Lett. , vol.3 , Issue.7 , pp. 955-960
    • Sun, Y.G.1    Mayers, B.2    Herricks, T.3    Xia, Y.N.4
  • 35
    • 28144432355 scopus 로고    scopus 로고
    • Studies on Adsorption of 5-Amino Tetrazole on Silver Nanoparticles by SERS and DFT Calculations
    • Thomas, S.; Biswas, N.; Venkateswaran, S.; Kapoor, S.; Naumov, S.; Mukherjee, T. Studies on Adsorption of 5-Amino Tetrazole on Silver Nanoparticles by SERS and DFT Calculations J. Phys. Chem. A 2005, 109 (44) 9928-9934
    • (2005) J. Phys. Chem. A , vol.109 , Issue.44 , pp. 9928-9934
    • Thomas, S.1    Biswas, N.2    Venkateswaran, S.3    Kapoor, S.4    Naumov, S.5    Mukherjee, T.6
  • 36
    • 33750970022 scopus 로고    scopus 로고
    • Experimental (FT-IR) and Theoretical (DFT) Studies on the Adsorption Behavior of p-Nitroaniline (PNA) on Gold Nanoparticales
    • Ma, W.; Fang, Y. Experimental (FT-IR) and Theoretical (DFT) Studies on the Adsorption Behavior of p-Nitroaniline (PNA) on Gold Nanoparticales J. Nanopart. Res. 2006, 8 (5) 761-767
    • (2006) J. Nanopart. Res. , vol.8 , Issue.5 , pp. 761-767
    • Ma, W.1    Fang, Y.2
  • 37
    • 20844447576 scopus 로고    scopus 로고
    • Density Functional Study of the Interaction of Chlorine Atom with Small Neutral and Charged Silver Clusters
    • Shuang, Z.; Zhen-Hua, L.; Wen-Ning, W.; Kang-Nian, F. Density Functional Study of the Interaction of Chlorine Atom with Small Neutral and Charged Silver Clusters J. Chem. Phys. 2005, 122 (14) 144701-1-144701-8
    • (2005) J. Chem. Phys. , vol.122 , Issue.14 , pp. 1447011-1447018
    • Shuang, Z.1    Zhen-Hua, L.2    Wen-Ning, W.3    Kang-Nian, F.4
  • 38
    • 0035808155 scopus 로고    scopus 로고
    • DFT Calculations of the Interaction of Alkali Ions with Copper and Silver
    • Ignaczak, A. DFT Calculations of the Interaction of Alkali Ions with Copper and Silver J. Electroanal. Chem. 2001, 495 (2) 160-168
    • (2001) J. Electroanal. Chem. , vol.495 , Issue.2 , pp. 160-168
    • Ignaczak, A.1
  • 39
    • 28444462086 scopus 로고    scopus 로고
    • Comparative DFT Study of Electronic Structure and Geometry of Copper and Silver Clusters: Interaction with NO Molecule
    • Matulis, V. E.; Ivaskevich, O. A. Comparative DFT Study of Electronic Structure and Geometry of Copper and Silver Clusters: Interaction with NO Molecule Comput. Mater. Sci. 2006, 35 (3) 268-271
    • (2006) Comput. Mater. Sci. , vol.35 , Issue.3 , pp. 268-271
    • Matulis, V.E.1    Ivaskevich, O.A.2
  • 40
    • 34248653737 scopus 로고    scopus 로고
    • Interaction of Hydrated Amino Acids with Metal Surfaces: A Multiscale Modeling Description
    • Schravendijk, P.; Ghiringhelli, L. M.; Delle Site, L.; van der Vegt, N. F. A. Interaction of Hydrated Amino Acids with Metal Surfaces: A Multiscale Modeling Description J. Phys. Chem. C 2007, 111 (6) 2631-2642
    • (2007) J. Phys. Chem. C , vol.111 , Issue.6 , pp. 2631-2642
    • Schravendijk, P.1    Ghiringhelli, L.M.2    Delle Site, L.3    Van Der Vegt, N.F.A.4
  • 41
    • 67650159736 scopus 로고    scopus 로고
    • GoIP: 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. GoIP: An Atomistic Force-Field to Describe the Interaction of Proteins With Au(111) Surfaces in Water J. Comput. Chem. 2009, 30 (9) 1465-1476
    • (2009) J. Comput. Chem. , vol.30 , Issue.9 , pp. 1465-1476
    • Iori, F.1    Di Felice, R.2    Molinari, E.3    Corni, S.4
  • 42
    • 77952378812 scopus 로고    scopus 로고
    • ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent
    • Kokh, D. B.; Corni, S.; Winn, P. J.; Hoefling, M.; Gottschalk, K. E.; Wade, R. C. ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent J. Chem. Theory Comput. 2010, 6 (5) 1753-1768
    • (2010) J. Chem. Theory Comput. , vol.6 , Issue.5 , pp. 1753-1768
    • Kokh, D.B.1    Corni, S.2    Winn, P.J.3    Hoefling, M.4    Gottschalk, K.E.5    Wade, R.C.6
  • 43
    • 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 (44) 17281-17290
    • (2008) J. Phys. Chem. C , vol.112 , Issue.44 , pp. 17281-17290
    • Heinz, H.1    Vaia, R.A.2    Farmer, B.L.3    Naik, R.R.4
  • 47
    • 79960178615 scopus 로고    scopus 로고
    • Simulation of Peptide-Surface Recognition
    • Di Felice, R.; Corni, S. Simulation of Peptide-Surface Recognition J. Phys. Chem. Lett. 2011, 2 (13) 1510-1519
    • (2011) J. Phys. Chem. Lett. , vol.2 , Issue.13 , pp. 1510-1519
    • Di Felice, R.1    Corni, S.2
  • 48
    • 84874906318 scopus 로고    scopus 로고
    • GoIP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)
    • Wright, L. B.; Rodger, P. M.; Corni, S.; Walsh, T. R. GoIP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100) J. Chem. Theory Comput. 2013, 9 (3) 1616-1630
    • (2013) J. Chem. Theory Comput. , vol.9 , Issue.3 , pp. 1616-1630
    • Wright, L.B.1    Rodger, P.M.2    Corni, S.3    Walsh, T.R.4
  • 49
    • 84876587217 scopus 로고    scopus 로고
    • Cytochrome C on a Gold Surface: Investigating Structural Relaxations and Their Role in Protein-Surface Electron Transfer by Molecular Dynamics Simulations
    • Siwko, M. E.; Corni, S. Cytochrome C on a Gold Surface: Investigating Structural Relaxations and Their Role in Protein-Surface Electron Transfer by Molecular Dynamics Simulations Phys. Chem. Chem. Phys. 2013, 15 (16) 5945-5956
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , Issue.16 , pp. 5945-5956
    • Siwko, M.E.1    Corni, S.2
  • 50
    • 80053080984 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface
    • Barone, V.; Casarin, M.; Forrer, D.; Monti, S.; Prampolini, G. Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface J. Phys. Chem. C 2011, 115 (38) 18434-18444
    • (2011) J. Phys. Chem. C , vol.115 , Issue.38 , pp. 18434-18444
    • Barone, V.1    Casarin, M.2    Forrer, D.3    Monti, S.4    Prampolini, G.5
  • 51
    • 33846807703 scopus 로고    scopus 로고
    • Growth Mechanisms of Silver Nanoparticles: A Molecular Dynamics Study
    • Zeng, Q.; Jiang, X.; Yu, A.; Lu, G. Growth Mechanisms of Silver Nanoparticles: A Molecular Dynamics Study Nanotechnology 2007, 18 (3) 035708
    • (2007) Nanotechnology , vol.18 , Issue.3 , pp. 035708
    • Zeng, Q.1    Jiang, X.2    Yu, A.3    Lu, G.4
  • 52
    • 0034140260 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of Surface Diffusion and Growth on Silver and Gold Clusters
    • Baletto, F.; Mottet, C.; Ferrando, R. Molecular Dynamics Simulations of Surface Diffusion and Growth on Silver and Gold Clusters Surf. Sci. 2000, 446 (1-2) 31-45
    • (2000) Surf. Sci. , vol.446 , Issue.12 , pp. 31-45
    • Baletto, F.1    Mottet, C.2    Ferrando, R.3
  • 53
    • 0242411477 scopus 로고    scopus 로고
    • Tork: Conformational Analysis Method for Molecules and Complexes
    • Chang, C. E.; Gilson, M. K. Tork: Conformational Analysis Method for Molecules and Complexes J. Comput. Chem. 2003, 24 (16) 1987-1998
    • (2003) J. Comput. Chem. , vol.24 , Issue.16 , pp. 1987-1998
    • Chang, C.E.1    Gilson, M.K.2
  • 54
    • 0037473066 scopus 로고    scopus 로고
    • Calculation of Molecular Configuration Integrals
    • Chang, C. E.; Potter, M. J.; Gilson, M. K. Calculation of Molecular Configuration Integrals J. Phys. Chem. B 2003, 107 (4) 1048-1055
    • (2003) J. Phys. Chem. B , vol.107 , Issue.4 , pp. 1048-1055
    • Chang, C.E.1    Potter, M.J.2    Gilson, M.K.3
  • 55
    • 5644287368 scopus 로고    scopus 로고
    • Free Energy, Entropy, and Induced Fit in Host-Guest Recognition: Calculations with the Second-Generation Mining Minima Algorithm
    • Chang, C. E.; Gilson, M. K. Free Energy, Entropy, and Induced Fit in Host-Guest Recognition: Calculations with the Second-Generation Mining Minima Algorithm J. Am. Chem. Soc. 2004, 126 (40) 13156-13164
    • (2004) J. Am. Chem. Soc. , vol.126 , Issue.40 , pp. 13156-13164
    • Chang, C.E.1    Gilson, M.K.2
  • 56
    • 16344395749 scopus 로고    scopus 로고
    • Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design
    • Chen, W.; Chang, C. E.; Gilson, M. K. Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design Biophys. J. 2004, 87 (5) 3035-3049
    • (2004) Biophys. J. , vol.87 , Issue.5 , pp. 3035-3049
    • Chen, W.1    Chang, C.E.2    Gilson, M.K.3
  • 58
    • 84864757178 scopus 로고    scopus 로고
    • Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes
    • Huang, Y.-m. M.; Chen, W.; Potter, M. J.; Chang, C.-e. A. Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes Biophys. J. 2012, 103 (2) 342-351
    • (2012) Biophys. J. , vol.103 , Issue.2 , pp. 342-351
    • Huang, Y.-M.M.1    Chen, W.2    Potter, M.J.3    Chang, C.-E.A.4
  • 59
    • 4043162793 scopus 로고    scopus 로고
    • VEGA: An Open Platform to Develop Chemo-Bio-Informatics Applications, Using Plug-In Architecture and Script Programming
    • Pedretti, A.; Villa, L.; Vistoli, G. VEGA: An Open Platform to Develop Chemo-Bio-Informatics Applications, Using Plug-In Architecture and Script Programming J. Comput.-Aided Mol. Des. 2004, 18 (3) 167-173
    • (2004) J. Comput.-Aided Mol. Des. , vol.18 , Issue.3 , pp. 167-173
    • Pedretti, A.1    Villa, L.2    Vistoli, G.3
  • 61
    • 0344686476 scopus 로고    scopus 로고
    • Fast Assignment of Accurate Partial Atomic Charges: An Electronegativity Equalization Method that Accounts for Alternate Resonance Forms
    • Gilson, M. K.; Gilson, H. S. R.; Potter, M. J. Fast Assignment of Accurate Partial Atomic Charges: An Electronegativity Equalization Method that Accounts for Alternate Resonance Forms J. Chem. Inf. Comput. Sci. 2003, 43 (6) 1982-1997
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , Issue.6 , pp. 1982-1997
    • Gilson, M.K.1    Gilson, H.S.R.2    Potter, M.J.3
  • 62
    • 0015614656 scopus 로고
    • Compression of Ag and Phase-Transformation of NaCl
    • Liu, L.; Bassett, W. A. Compression of Ag and Phase-Transformation of NaCl J. Appl. Phys. 1973, 44 (4) 1475-1479
    • (1973) J. Appl. Phys. , vol.44 , Issue.4 , pp. 1475-1479
    • Liu, L.1    Bassett, W.A.2
  • 63
    • 0002405589 scopus 로고
    • Standard X-Ray Diffraction Power Patterns. Section 4-Data for 103 Substances
    • Swanson, H. E.; Morris, M. C.; Evans, E. H. Standard X-Ray Diffraction Power Patterns. Section 4-Data for 103 Substances NBS Monograph (U.S.) 1966, 83 (25) 83
    • (1966) NBS Monograph (U.S.) , vol.83 , Issue.25 , pp. 83
    • Swanson, H.E.1    Morris, M.C.2    Evans, E.H.3
  • 64
    • 3643119869 scopus 로고    scopus 로고
    • Molecular Dynamics Study of Water next to Electrified Ag(111) Surfaces
    • Schweighofer, K. J.; Xia, X. F.; Berkowitz, M. L. Molecular Dynamics Study of Water Next to Electrified Ag(111) Surfaces Langmuir 1996, 12 (16) 3747-3752
    • (1996) Langmuir , vol.12 , Issue.16 , pp. 3747-3752
    • Schweighofer, K.J.1    Xia, X.F.2    Berkowitz, M.L.3
  • 65
    • 0037430620 scopus 로고    scopus 로고
    • Molecular Reorientation of Water Adsorbed on Charged Ag(111) Surfaces
    • Sanchez, C. G. Molecular Reorientation of Water Adsorbed on Charged Ag(111) Surfaces Surf. Sci. 2003, 527 (1-3) 1-11
    • (2003) Surf. Sci. , vol.527 , Issue.13 , pp. 1-11
    • Sanchez, C.G.1
  • 66
    • 0037165453 scopus 로고    scopus 로고
    • Coordinate Systems and the Calculation of Molecular Properties
    • Potter, M. J.; Gilson, M. K. Coordinate Systems and the Calculation of Molecular Properties J. Phys. Chem. A 2002, 106 (3) 563-566
    • (2002) J. Phys. Chem. A , vol.106 , Issue.3 , pp. 563-566
    • Potter, M.J.1    Gilson, M.K.2
  • 68
    • 33750056673 scopus 로고    scopus 로고
    • ROSETTALIGAND: Protein-Small Molecule Docking with Full Side Chain Flexibility
    • Meiler, J.; Baker, D. ROSETTALIGAND: Protein-Small Molecule Docking with Full Side Chain Flexibility Proteins: Struct., Funct., Bioinf. 2006, 65 (3) 538-548
    • (2006) Proteins: Struct., Funct., Bioinf. , vol.65 , Issue.3 , pp. 538-548
    • Meiler, J.1    Baker, D.2
  • 71
    • 77957898063 scopus 로고    scopus 로고
    • Scoring Functions and Their Evaluation Methods for Protein-Ligand Docking: Recent Advances and Future Directions
    • Huang, S.-Y.; Grinter, S. Z.; Zou, X. Scoring Functions and Their Evaluation Methods for Protein-Ligand Docking: Recent Advances and Future Directions Phys. Chem. Chem. Phys. 2010, 12 (40) 12899-12908
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , Issue.40 , pp. 12899-12908
    • Huang, S.-Y.1    Grinter, S.Z.2    Zou, X.3
  • 73
    • 0021476470 scopus 로고
    • Calculations of Electrostatic Interactions in Biological-Systems and in Solutions
    • Warshel, A.; Russell, S. T. Calculations of Electrostatic Interactions in Biological-Systems and in Solutions Q. Rev. Biophys. 1984, 17 (3) 283-422
    • (1984) Q. Rev. Biophys. , vol.17 , Issue.3 , pp. 283-422
    • Warshel, A.1    Russell, S.T.2
  • 74
    • 0028155689 scopus 로고
    • New Method for Predicting Binding-Affinity in Computer-Aided Drug Design
    • Aqvist, J.; Medina, C.; Samuelsson, J. E. New Method for Predicting Binding-Affinity in Computer-Aided Drug Design Protein Eng. 1994, 7 (3) 385-391
    • (1994) Protein Eng. , vol.7 , Issue.3 , pp. 385-391
    • Aqvist, J.1    Medina, C.2    Samuelsson, J.E.3
  • 75
    • 0000763912 scopus 로고
    • Molecular-Basis for the Born Model of Ion Solvation
    • Roux, B.; Yu, H. A.; Karplus, M. Molecular-Basis for the Born Model of Ion Solvation J. Phys. Chem. 1990, 94 (11) 4683-4688
    • (1990) J. Phys. Chem. , vol.94 , Issue.11 , pp. 4683-4688
    • Roux, B.1    Yu, H.A.2    Karplus, M.3
  • 77
    • 4043173375 scopus 로고    scopus 로고
    • Identification of Symmetries in Molecules and Complexes
    • Chen, W.; Huang, J.; Gilson, M. K. Identification of Symmetries in Molecules and Complexes J. Chem. Inf. Comput. Sci. 2004, 44 (4) 1301-1313
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , Issue.4 , pp. 1301-1313
    • Chen, W.1    Huang, J.2    Gilson, M.K.3
  • 78
    • 6244273869 scopus 로고    scopus 로고
    • Steric Effects in Electrolytes: A Modified Poisson-Boltzmann Equation
    • Borukhov, I.; Andelman, D.; Orland, H. Steric Effects in Electrolytes: A Modified Poisson-Boltzmann Equation Phys. Rev. Lett. 1997, 79 (3) 435-438
    • (1997) Phys. Rev. Lett. , vol.79 , Issue.3 , pp. 435-438
    • Borukhov, I.1    Andelman, D.2    Orland, H.3
  • 80
    • 0032937077 scopus 로고    scopus 로고
    • Biomolecular Electrostatics with the Linearized Poisson-Boltzmann Equation
    • Fogolari, F.; Zuccato, P.; Esposito, G.; Viglino, P. Biomolecular Electrostatics with the Linearized Poisson-Boltzmann Equation Biophys. J. 1999, 76 (1) 1-16
    • (1999) Biophys. J. , vol.76 , Issue.1 , pp. 1-16
    • Fogolari, F.1    Zuccato, P.2    Esposito, G.3    Viglino, P.4
  • 81
    • 84863690097 scopus 로고    scopus 로고
    • Screening for the Location of RNA Using the Chloride Ion Distribution in Simulations of Virus Capsids
    • Larsson, D. S. D.; van der Spoel, D. Screening for the Location of RNA Using the Chloride Ion Distribution in Simulations of Virus Capsids J. Chem. Theory Comput. 2012, 8 (7) 2474-2483
    • (2012) J. Chem. Theory Comput. , vol.8 , Issue.7 , pp. 2474-2483
    • Larsson, D.S.D.1    Van Der Spoel, D.2
  • 82
    • 77955695135 scopus 로고    scopus 로고
    • Revisiting the Association of Cationic Groove-Binding Drugs to DNA Using a Poisson-Boltzmann Approach
    • Fenley, M. O.; Harris, R. C.; Jayaram, B.; Boschitsch, A. H. Revisiting the Association of Cationic Groove-Binding Drugs to DNA Using a Poisson-Boltzmann Approach Biophys. J. 2010, 99 (3) 879-886
    • (2010) Biophys. J. , vol.99 , Issue.3 , pp. 879-886
    • Fenley, M.O.1    Harris, R.C.2    Jayaram, B.3    Boschitsch, A.H.4
  • 83
    • 0035913537 scopus 로고    scopus 로고
    • Extending the Applicability of the Nonlinear Poisson-Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions
    • Rocchia, W.; Alexov, E.; Honig, B. Extending the Applicability of the Nonlinear Poisson-Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions J. Phys. Chem. B 2001, 105 (28) 6507-6514
    • (2001) J. Phys. Chem. B , vol.105 , Issue.28 , pp. 6507-6514
    • Rocchia, W.1    Alexov, E.2    Honig, B.3
  • 84
    • 2342454337 scopus 로고    scopus 로고
    • Hybrid Boundary Element and Finite Difference Method for Solving the Nonlinear Poisson-Boltzmann Equation
    • Boschitsch, A. H.; Fenley, M. O. Hybrid Boundary Element and Finite Difference Method for Solving the Nonlinear Poisson-Boltzmann Equation J. Comput. Chem. 2004, 25 (7) 935-955
    • (2004) J. Comput. Chem. , vol.25 , Issue.7 , pp. 935-955
    • Boschitsch, A.H.1    Fenley, M.O.2
  • 86
    • 25844492293 scopus 로고    scopus 로고
    • Evaluating the Accuracy of the Quasiharmonic Approximation
    • Chang, C. E.; Chen, W.; Gilson, M. K. Evaluating the Accuracy of the Quasiharmonic Approximation J. Chem. Theory Comput. 2005, 1 (5) 1017-1028
    • (2005) J. Chem. Theory Comput. , vol.1 , Issue.5 , pp. 1017-1028
    • Chang, C.E.1    Chen, W.2    Gilson, M.K.3
  • 87
    • 4243778369 scopus 로고    scopus 로고
    • Complexation Thermodynamics of Cyclodextrins
    • Rekharsky, M. V.; Inoue, Y. Complexation Thermodynamics of Cyclodextrins Chem. Rev. 1998, 98 (5) 1875-1917
    • (1998) Chem. Rev. , vol.98 , Issue.5 , pp. 1875-1917
    • Rekharsky, M.V.1    Inoue, Y.2
  • 88
    • 0034630938 scopus 로고    scopus 로고
    • Chiral Recognition Thermodynamics of beta-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect
    • Rekharsky, M.; Inoue, Y. Chiral Recognition Thermodynamics of beta-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect J. Am. Chem. Soc. 2000, 122 (18) 4418-4435
    • (2000) J. Am. Chem. Soc. , vol.122 , Issue.18 , pp. 4418-4435
    • Rekharsky, M.1    Inoue, Y.2
  • 89
    • 10944261243 scopus 로고    scopus 로고
    • Understanding Noncovalent Interactions: Ligand Binding Energy and Catalytic Efficiency from Ligand-Induced Reductions in Motion within Receptors and Enzymes
    • Williams, D. H.; Stephens, E.; OBrien, D. P.; Zhou, M. Understanding Noncovalent Interactions: Ligand Binding Energy and Catalytic Efficiency from Ligand-Induced Reductions in Motion within Receptors and Enzymes Angew. Chem., Int. Ed. 2004, 43 (48) 6596-6616
    • (2004) Angew. Chem., Int. Ed. , vol.43 , Issue.48 , pp. 6596-6616
    • Williams, D.H.1    Stephens, E.2    Obrien, D.P.3    Zhou, M.4


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