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Volumn 117, Issue 19, 2013, Pages 10143-10162

Effect of organochloride guest molecules on the stability of homo/hetero self-assembled α,γ-cyclic peptide structures: A computational study toward the control of nanotube length

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; CYCLIC PEPTIDE NANOTUBES; DESTABILIZING EFFECT; DRUG DELIVERY PROCESS; DYNAMICAL BEHAVIORS; MOLECULAR SELF ASSEMBLY; SIGNIFICANT DIFFERENCES; STRUCTURAL ANALOGIES;

EID: 84878105183     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp400796n     Document Type: Article
Times cited : (14)

References (84)
  • 1
    • 24944476369 scopus 로고    scopus 로고
    • Self-Assembly of Cyclic Peptides in Hydrogen-Bonded Nanotubes
    • In; Schwarz, J. A. Contescu, C. I. Putyera, K. Marcel Dekker, Inc. Monticello, NY
    • Brea, R. J.; Granja, J. R. Self-Assembly of Cyclic Peptides in Hydrogen-Bonded Nanotubes. In Dekker Encyclopedia of Nanoscience and Nanotechnology; Schwarz, J. A., Contescu, C. I., Putyera, K., Eds.; Marcel Dekker, Inc.: Monticello, NY, 2004; p 3439.
    • (2004) Dekker Encyclopedia of Nanoscience and Nanotechnology , pp. 3439
    • Brea, R.J.1    Granja, J.R.2
  • 2
    • 0037099441 scopus 로고    scopus 로고
    • Oxidic nanotubes and nanorods - Anisotropic modules for a future nanotechnology
    • DOI 10.1002/1521-3773(20020715)41:14<2446::AID-ANIE2446>3.0.CO;2-K
    • Patzke, G. R.; Krumeich, F.; Nesper, R. Oxidic Nanotubes and Nanorods-Anisotropic Modules for a Future Nanotechnology Angew. Chem., Int. Ed. 2002, 41, 2446-2461 (Pubitemid 34803448)
    • (2002) Angewandte Chemie - International Edition , vol.41 , Issue.14 , pp. 2446-2461
    • Patzke, G.R.1    Krumeich, F.2    Nesper, R.3
  • 4
    • 84870156651 scopus 로고    scopus 로고
    • Design and Properties of Functional Nanotubes from the Self-Assembly of Cyclic Peptide Templates
    • Chapman, R.; Danial, M.; Koh, M. L.; Jolliffe, K. A.; Perrier, S. Design and Properties of Functional Nanotubes from the Self-Assembly of Cyclic Peptide Templates Chem. Soc. Rev. 2012, 41, 6023-6041
    • (2012) Chem. Soc. Rev. , vol.41 , pp. 6023-6041
    • Chapman, R.1    Danial, M.2    Koh, M.L.3    Jolliffe, K.A.4    Perrier, S.5
  • 5
    • 77951613692 scopus 로고    scopus 로고
    • Towards Functional Bionanomaterials Based on Self-Assembling Cyclic Peptide Nanotubes
    • Brea, R. J.; Reiriz, C.; Granja, J. R. Towards Functional Bionanomaterials Based on Self-Assembling Cyclic Peptide Nanotubes Chem. Soc. Rev. 2010, 39, 1448-1456
    • (2010) Chem. Soc. Rev. , vol.39 , pp. 1448-1456
    • Brea, R.J.1    Reiriz, C.2    Granja, J.R.3
  • 7
    • 14544281493 scopus 로고    scopus 로고
    • Modulating charge transfer through cyclic D,L-α-peptide self-assembly
    • DOI 10.1002/chem.200400923
    • Horne, W. S.; Ashkenasy, N.; Ghadiri, M. R. Modulating Charge Transfer through Cyclic D,L-α-Peptide Self-assembly Chem.-Eur. J. 2005, 11, 1137-1144 (Pubitemid 40299266)
    • (2005) Chemistry - A European Journal , vol.11 , Issue.4 , pp. 1137-1144
    • Horne, W.S.1    Ashkenasy, N.2    Ghadiri, M.R.3
  • 9
    • 0037264039 scopus 로고    scopus 로고
    • The emerging field of nanotube biotechnology
    • DOI 10.1038/nrd988
    • Martin, C. R.; Kohli, P. The Emerging Field of Nanotube Biotechnology Nat. Rev. Drug Discovery 2003, 2, 29-37 (Pubitemid 37361622)
    • (2003) Nature Reviews Drug Discovery , vol.2 , Issue.1 , pp. 29-37
    • Martin, C.R.1    Kohli, P.2
  • 10
    • 24644466541 scopus 로고    scopus 로고
    • Peptide-based nanotubes and their applications in bionanotechnology
    • DOI 10.1002/adma.200401849
    • Gao, X.; Matsui, H. Peptide-Based Nanotubes and Their Applications in Bionanotechnology Adv. Mater. 2005, 17, 2037-2050 (Pubitemid 41284788)
    • (2005) Advanced Materials , vol.17 , Issue.17 , pp. 2037-2050
    • Gao, X.1    Matsui, H.2
  • 12
    • 32044443628 scopus 로고    scopus 로고
    • Design of self-assembling peptide nanotubes with delocalized electronic states
    • DOI 10.1002/smll.200500252
    • Ashkenasy, N.; Horne, W. S.; Ghadiri, M. R. Design of Self-Assembling Peptide Nanotubes with Delocalized Electronic States Small 2006, 2, 99-102 (Pubitemid 43198002)
    • (2006) Small , vol.2 , Issue.1 , pp. 99-102
    • Ashkenasy, N.1    Horne, W.S.2    Ghadiri, M.R.3
  • 13
    • 79952849753 scopus 로고    scopus 로고
    • Assemblies of Functional Peptides and Their Applications in Building Blocks for Biosensors
    • de la Rica, R.; Pejoux, C.; Matsui, H. Assemblies of Functional Peptides and Their Applications in Building Blocks for Biosensors Adv. Funct. Mater. 2011, 21, 1018-1026
    • (2011) Adv. Funct. Mater. , vol.21 , pp. 1018-1026
    • De La Rica, R.1    Pejoux, C.2    Matsui, H.3
  • 14
    • 79951918055 scopus 로고    scopus 로고
    • Subnanometer Porous Thin Films by the Co-Assembly of Nanotube Subunits and Block Copolymers
    • Xu, T.; Zhao, N.; Ren, F.; Hourani, R.; Tsang Lee, M.; Shu, J. Y.; Mao, S.; Helms, B. A. Subnanometer Porous Thin Films by the Co-Assembly of Nanotube Subunits and Block Copolymers ACS Nano 2011, 2, 1376-1384
    • (2011) ACS Nano , vol.2 , pp. 1376-1384
    • Xu, T.1    Zhao, N.2    Ren, F.3    Hourani, R.4    Tsang Lee, M.5    Shu, J.Y.6    Mao, S.7    Helms, B.A.8
  • 15
    • 84855579267 scopus 로고    scopus 로고
    • Charge Transport in Vertically Aligned, Self-Assembled Peptide Nanotube Junctions
    • Mizrahi, M.; Zakrassov, A.; Lerner-Yardeni, J.; Ashkenasy, N. Charge Transport in Vertically Aligned, Self-Assembled Peptide Nanotube Junctions Nanoscale 2012, 4, 518-524
    • (2012) Nanoscale , vol.4 , pp. 518-524
    • Mizrahi, M.1    Zakrassov, A.2    Lerner-Yardeni, J.3    Ashkenasy, N.4
  • 16
    • 0027703505 scopus 로고
    • Self-assembling organic nanotubes based on a cyclic peptide architecture
    • DOI 10.1038/366324a0
    • Ghadiri, M. R.; Granja, J. R.; Milligan, R. A.; McRee, D. E.; Khazanovich, N. Self-Assembling Organic Nanotubes Based on a Cyclic Peptide Architecture Nature 1993, 366, 324-327 (Pubitemid 23349358)
    • (1993) Nature , vol.366 , Issue.6453 , pp. 324-327
    • Ghadiri, M.R.1    Granja, J.R.2    Milligan, R.A.3    McRee, D.E.4    Khazanovich, N.5
  • 18
    • 0031040358 scopus 로고    scopus 로고
    • Cyclo-[beta]-peptides: Structure and Tubular Stacking of Cyclic Tetramers of 3-Aminobutanoic Acid As Determined from Powder Diffraction Data
    • Seebach, D.; Matthews, J. L.; Meden, A.; Wessels, T.; Baerlocher, C.; McCusker, L. B. Cyclo-[beta]-peptides: Structure and Tubular Stacking of Cyclic Tetramers of 3-Aminobutanoic Acid As Determined from Powder Diffraction Data Helv. Chim. Acta 1997, 80, 173-182
    • (1997) Helv. Chim. Acta , vol.80 , pp. 173-182
    • Seebach, D.1    Matthews, J.L.2    Meden, A.3    Wessels, T.4    Baerlocher, C.5    McCusker, L.B.6
  • 20
    • 84864504602 scopus 로고    scopus 로고
    • Peptide Nanotube Composed of Cyclic Tetra-β-peptide Having Polydiacetylene
    • references therein
    • Ishihara, Y.; Kimura, S. Peptide Nanotube Composed of Cyclic Tetra-β-peptide Having Polydiacetylene Biopolymers 2012, 98, 155-160 and references therein
    • (2012) Biopolymers , vol.98 , pp. 155-160
    • Ishihara, Y.1    Kimura, S.2
  • 21
    • 84868018737 scopus 로고    scopus 로고
    • Self-Assembling Properties of All γ-cyclic Peptides Containing Sugar Amino Acid Residues
    • Guerra, A.; Brea, R. J.; Amorín, M.; Castedo, L.; Granja, J. R. Self-Assembling Properties of All γ-cyclic Peptides Containing Sugar Amino Acid Residues Org. Biomol. Chem. 2012, 10, 8762-8766
    • (2012) Org. Biomol. Chem. , vol.10 , pp. 8762-8766
    • Guerra, A.1    Brea, R.J.2    Amorín, M.3    Castedo, L.4    Granja, J.R.5
  • 23
    • 0035905358 scopus 로고    scopus 로고
    • Self-assembly of cyclic peptides into nanotubes and then into highly anisotropic crystalline materials
    • DOI 10.1002/1521-3773(20011217)40:24<4635::AID-ANIE4635>3.0.CO;2-D
    • Gauthier, D.; Baillargeon, P.; Drouin, M.; Dory, Y. L. Self-Assembly of Cyclic Peptides into Nanotubes and Then into Highly Anisotropic Crystalline Materials Angew. Chem., Int. Ed. 2001, 40, 4635-4638 (Pubitemid 34032193)
    • (2001) Angewandte Chemie - International Edition , vol.40 , Issue.24 , pp. 4635-4638
    • Gauthier, D.1    Baillargeon, P.2    Drouin, M.3    Dory, Y.L.4
  • 25
    • 0037433498 scopus 로고    scopus 로고
    • New cyclic peptide assemblies with hydrophobic cavities: The structural and thermodynamic basis of a new class of peptide nanotubes
    • DOI 10.1021/ja0296273
    • Amorin, M.; Castedo, L.; Granja, J. R. New Cyclic Peptide Assemblies with Hydrophobic Cavities: The Structural and Thermodynamic Basis of a New Class of Peptide Nanotubes J. Am. Chem. Soc. 2003, 125, 2844-2845 (Pubitemid 36512488)
    • (2003) Journal of the American Chemical Society , vol.125 , Issue.10 , pp. 2844-2845
    • Amorin, M.1    Castedo, L.2    Granja, J.R.3
  • 26
    • 27744590590 scopus 로고    scopus 로고
    • Self-Assembled Peptide Tubelets with 7 Å Pores
    • Amorin, M.; Castedo, L.; Granja, J. R. Self-Assembled Peptide Tubelets with 7 Å Pores Chem.-Eur. J. 2005, 11, 6543-6551
    • (2005) Chem. - Eur. J. , vol.11 , pp. 6543-6551
    • Amorin, M.1    Castedo, L.2    Granja, J.R.3
  • 27
    • 27144476831 scopus 로고    scopus 로고
    • The smallest α,γ-peptide nanotubulet segments: Cyclic α,γ-tetrapeptide dimers
    • DOI 10.1021/ol0518885
    • Amorin, M.; Brea, R. J.; Castedo, L.; Granja, J. R. The Smallest α,γ-Peptide Nanotubulet Segments: Cyclic α,γ- Tetrapeptide Dimers Org. Lett. 2005, 7, 4681-4684 (Pubitemid 41507071)
    • (2005) Organic Letters , vol.7 , Issue.21 , pp. 4681-4684
    • Amorin, M.1    Brea, R.J.2    Castedo, L.3    Granja, J.R.4
  • 28
    • 24944550968 scopus 로고    scopus 로고
    • Methyl-blocked dimeric α,γ-peptide nanotube segments: Formation of a peptide heterodimer through backbone-backbone interactions
    • DOI 10.1002/anie.200501555
    • Brea, R. J.; Amorin, M.; Castedo, L.; Granja, J. R. Methyl-Blocked Dimeric α,γ-Peptide Nanotube Segments: Formation of a Peptide Heterodimer through Backbone-Backbone Interactions Angew. Chem., Int. Ed. 2005, 44, 5710-5713 (Pubitemid 41312160)
    • (2005) Angewandte Chemie - International Edition , vol.44 , Issue.35 , pp. 5710-5713
    • Brea, R.J.1    Amorin, M.2    Castedo, L.3    Granja, J.R.4
  • 30
    • 33846979505 scopus 로고    scopus 로고
    • Controlling Multiple Fluorescent Signal Output in Cyclic Peptide-Based Supramolecular Systems
    • Brea, R. J.; Vazquez, M. E.; Mosquera, M.; Castedo, L.; Granja, J. R. Controlling Multiple Fluorescent Signal Output in Cyclic Peptide-Based Supramolecular Systems J. Am. Chem. Soc. 2007, 129, 1653-1657
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 1653-1657
    • Brea, R.J.1    Vazquez, M.E.2    Mosquera, M.3    Castedo, L.4    Granja, J.R.5
  • 32
    • 78650794230 scopus 로고    scopus 로고
    • Highly Efficient and Directional Homo- and Heterodimeric Energy Transfer Materials Based on Fluorescently Derivatized α,γ-Cyclic Octapeptides
    • Brea, R. J.; Pérez-Alvite, M. J.; Panciera, M.; Mosquera, M.; Castedo, L.; Granja, J. R. Highly Efficient and Directional Homo- and Heterodimeric Energy Transfer Materials Based on Fluorescently Derivatized α,γ-Cyclic Octapeptides Chem. Asian. J. 2011, 6, 110-121
    • (2011) Chem. Asian. J. , vol.6 , pp. 110-121
    • Brea, R.J.1    Pérez-Alvite, M.J.2    Panciera, M.3    Mosquera, M.4    Castedo, L.5    Granja, J.R.6
  • 33
    • 80052326692 scopus 로고    scopus 로고
    • Toward the Rational Design of Molecular Rotors Ion Sensors Based on α,γ-Cyclic Peptide Dimers
    • Perez-Alvite, M. J.; Mosquera, M.; Castedo, L.; Granja, J. R. Toward the Rational Design of Molecular Rotors Ion Sensors Based on α,γ-Cyclic Peptide Dimers Amino Acids 2011, 41, 621-628
    • (2011) Amino Acids , vol.41 , pp. 621-628
    • Perez-Alvite, M.J.1    Mosquera, M.2    Castedo, L.3    Granja, J.R.4
  • 34
    • 70350097624 scopus 로고    scopus 로고
    • α,γ-Cyclic Peptide Ensembles with a Hydroxylated Cavity
    • For other cyclic peptide nanotubes with tunable interiors, see
    • For other cyclic peptide nanotubes with tunable interiors, see: Reiriz, C.; Amorin, M.; Garcia-Fandino, R.; Castedo, L.; Granja, J. R. α,γ-Cyclic Peptide Ensembles with a Hydroxylated Cavity Org. Biomol. Chem. 2009, 7, 4358-4361
    • (2009) Org. Biomol. Chem. , vol.7 , pp. 4358-4361
    • Reiriz, C.1    Amorin, M.2    Garcia-Fandino, R.3    Castedo, L.4    Granja, J.R.5
  • 36
    • 84867350967 scopus 로고    scopus 로고
    • Transmembrane Ion Transport by Self-Assembling α,γ-Peptide Nanotubes
    • Garcia-Fandino, R.; Amorin, M.; Castedo, L.; Granja, J. R. Transmembrane Ion Transport by Self-Assembling α,γ-Peptide Nanotubes Chem. Sci. 2012, 3, 3280-3285
    • (2012) Chem. Sci. , vol.3 , pp. 3280-3285
    • Garcia-Fandino, R.1    Amorin, M.2    Castedo, L.3    Granja, J.R.4
  • 37
    • 77955676726 scopus 로고    scopus 로고
    • Synthesis of Self-Assembling Cyclic Peptide-Polymer Conjugates Using Click Chemistry
    • Chapman, R.; Jolliffe, K. A.; Perrier, S. Synthesis of Self-Assembling Cyclic Peptide-Polymer Conjugates Using Click Chemistry Aust. J. Chem. 2010, 63, 1169-1173
    • (2010) Aust. J. Chem. , vol.63 , pp. 1169-1173
    • Chapman, R.1    Jolliffe, K.A.2    Perrier, S.3
  • 38
    • 80051661455 scopus 로고    scopus 로고
    • Modular Design for the Controlled Production of Polymeric Nanotubes from Polymer/Peptide Conjugates
    • Chapman, R.; Jolliffe, K. A.; Perrier, S. Modular Design for the Controlled Production of Polymeric Nanotubes from Polymer/Peptide Conjugates Polym. Chem. 2011, 1956-1963
    • (2011) Polym. Chem. , pp. 1956-1963
    • Chapman, R.1    Jolliffe, K.A.2    Perrier, S.3
  • 39
    • 48249154598 scopus 로고    scopus 로고
    • Polymer-Wrapped Peptide Nanotubes: Peptide-Grafted Polymer Mass Impacts Length and Diameter
    • Couet, J.; Biesalski, M. Polymer-Wrapped Peptide Nanotubes: Peptide-Grafted Polymer Mass Impacts Length and Diameter Small 2008, 4, 1008-1016
    • (2008) Small , vol.4 , pp. 1008-1016
    • Couet, J.1    Biesalski, M.2
  • 41
    • 0033047616 scopus 로고    scopus 로고
    • Covalent capture and stabilization of cylindrical β-sheet peptide assemblies
    • Clark, T. D.; Kobayashi, K.; Ghadiri, M. R. Covalent Capture and Stabilization of Cylindrical β-Sheet Peptide Assemblies Chem.-Eur. J. 1999, 5, 782-792 (Pubitemid 129504185)
    • (1999) Chemistry - A European Journal , vol.5 , Issue.2 , pp. 782-792
    • Clark, T.D.1    Kobayashi, K.2    Ghadiri, M.R.3
  • 42
    • 33847627484 scopus 로고    scopus 로고
    • Self-assembled heterotrimeric collagen triple helices directed through electrostatic interactions
    • DOI 10.1021/ja0683640
    • Gauba, V.; Hartgerink, J. D. Self-Assembled Heterotrimeric Collagen Triple Helices Directed through Electrostatic Interactions J. Am. Chem. Soc. 2007, 129, 2683-2690 (Pubitemid 46364077)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.9 , pp. 2683-2690
    • Gauba, V.1    Hartgerink, J.D.2
  • 43
    • 34548378697 scopus 로고    scopus 로고
    • Self-assembly dynamics of a cylindrical capsule monitored by fluorescence resonance energy transfer
    • DOI 10.1021/ja071774j
    • Barrett, E. S.; Dale, T. J.; Rebek, J., Jr. Self-Assembly Dynamics of a Cylindrical Capsule Monitored by Fluorescence Resonance Energy Transfer J. Am. Chem. Soc. 2007, 129, 8818-8824 (Pubitemid 47492070)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.28 , pp. 8818-8824
    • Barrett, E.S.1    Dale, T.J.2    Rebek Jr., J.3
  • 44
    • 18744382529 scopus 로고    scopus 로고
    • Fabrication of multicomponent microsystems by directed three-dimensional self-assembly
    • DOI 10.1002/adfm.200400595
    • Zheng, W.; Jacobs, H. O. Fabrication of Multicomponent Microsystems by Directed Three-Dimensional Self-Assembly Adv. Funct. Mater. 2005, 15, 732-738 (Pubitemid 40665841)
    • (2005) Advanced Functional Materials , vol.15 , Issue.5 , pp. 732-738
    • Zheng, W.1    Jacobs, H.O.2
  • 46
    • 0037217406 scopus 로고    scopus 로고
    • Automated design of specificity in molecular recognition
    • DOI 10.1038/nsb877
    • Havranek, J. J.; Harbury, P. B. Automated Design of Specificity in Molecular Recognition Nat. Struct. Biol. 2003, 10, 45-52 (Pubitemid 36034176)
    • (2003) Nature Structural Biology , vol.10 , Issue.1 , pp. 45-52
    • Havranek, J.J.1    Harbury, P.B.2
  • 47
    • 78650779508 scopus 로고
    • Dimerization and Continuous Association Including Formation of Cyclic Dimers
    • Apelblat, A. Dimerization and Continuous Association Including Formation of Cyclic Dimers Can. J. Chem. 1991, 69, 638-647
    • (1991) Can. J. Chem. , vol.69 , pp. 638-647
    • Apelblat, A.1
  • 48
    • 77953460102 scopus 로고    scopus 로고
    • The Self-Assembled of Cyclic D,L-α-Peptide Systems: Insights into the Structure and Energetics
    • Qu, W.; Tan, H.; Chen, G.; Liu, R. The Self-Assembled of Cyclic D,L-α-Peptide Systems: Insights into the Structure and Energetics Int. J. Quantum Chem. 2010, 110, 1648-1659
    • (2010) Int. J. Quantum Chem. , vol.110 , pp. 1648-1659
    • Qu, W.1    Tan, H.2    Chen, G.3    Liu, R.4
  • 50
    • 33749595054 scopus 로고    scopus 로고
    • Self-assembling cyclic peptides: Molecular dynamics studies of dimers in polar and nonpolar solvents
    • DOI 10.1021/jp057471y
    • Khurana, E.; Nielsen, S. O.; Ensing, B.; Klein, M. L. Self-Assembling Cyclic Peptides: Molecular Dynamics Studies of Dimers in Polar and Nonpolar Solvents J. Phys. Chem. B 2006, 110, 18965-18972 (Pubitemid 44547283)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.38 , pp. 18965-18972
    • Khurana, E.1    Nelsen, S.O.2    Ensing, B.3    Klein, M.L.4
  • 51
    • 77951110595 scopus 로고    scopus 로고
    • Interaction and Dimerization Energies in Methyl-Blocked α,γ-Peptide Nanotube Segments
    • Garcia-Fandiño, R.; Castedo, L.; Granja, J. R.; Vazquez, S. Interaction and Dimerization Energies in Methyl-Blocked α,γ-Peptide Nanotube Segments J. Phys. Chem. B 2010, 114, 4973-4983
    • (2010) J. Phys. Chem. B , vol.114 , pp. 4973-4983
    • Garcia-Fandiño, R.1    Castedo, L.2    Granja, J.R.3    Vazquez, S.4
  • 52
    • 0000750272 scopus 로고
    • Structure and Dynamics of Self-Assembling Peptide Nanotubes and the Channel-Mediated Water Organization and Self-Diffusion. A Molecular Dynamics Study
    • Engels, M.; Bashford, D.; Ghadiri, M. R. Structure and Dynamics of Self-Assembling Peptide Nanotubes and the Channel-Mediated Water Organization and Self-Diffusion. A Molecular Dynamics Study J. Am. Chem. Soc. 1995, 117, 9151-9158
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 9151-9158
    • Engels, M.1    Bashford, D.2    Ghadiri, M.R.3
  • 53
    • 0141754087 scopus 로고    scopus 로고
    • Molecular dynamics investigation of an oriented cyclic peptide nanotube in DMPC bilayers
    • Tarek, M.; Maigret, B.; Chipot, C. Molecular Dynamics Investigation of an Oriented Cyclic Peptide Nanotube in DMPC Bilayers Biophys. J. 2003, 85, 2287-2298 (Pubitemid 37210779)
    • (2003) Biophysical Journal , vol.85 , Issue.4 , pp. 2287-2298
    • Tarek, M.1    Maigret, B.2    Chipot, C.3
  • 55
    • 33646379364 scopus 로고    scopus 로고
    • Ion current calculations based on three dimensional Poisson-Nernst-Planck theory for a cyclic peptide nanotube
    • DOI 10.1021/jp055740e
    • Hwang, H.; Schatz, G. C.; Ratner, M. A. Ion Current Calculations Based on Three Dimensional Poisson-Nernst-Planck Theory for a Cyclic Peptide Nanotube J. Phys. Chem. B 2006, 110, 6999-7008 (Pubitemid 43672173)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.13 , pp. 6999-7008
    • Hwang, H.1    Schatz, G.C.2    Ratner, M.A.3
  • 56
    • 33645526105 scopus 로고    scopus 로고
    • Interaction of a Peptide Nanotube with a Water-Membrane Interface
    • Chipot, C.; Tarek, M. Interaction of a Peptide Nanotube with a Water-Membrane Interface Phys. Biol. 2006, 3, S20-S25
    • (2006) Phys. Biol. , vol.3
    • Chipot, C.1    Tarek, M.2
  • 57
    • 34848923636 scopus 로고    scopus 로고
    • Energetics of ion transport in a peptide nanotube
    • DOI 10.1021/jp075308s
    • Dehez, F.; Tarek, M.; Chipot, C. Energetics of Ion Transport in a Peptide Nanotube J. Phys. Chem. B 2007, 111, 10633-10635 (Pubitemid 47497606)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.36 , pp. 10633-10635
    • Dehez, F.1    Tarek, M.2    Chipot, C.3
  • 58
    • 53249129575 scopus 로고    scopus 로고
    • Investigation of Structures and Properties of Cyclic Peptide Nanotubes by Experiment and Molecular Dynamics
    • Zhu, J.; Cheng, J.; Liao, Z.; Lai, Z.; Liu, B. Investigation of Structures and Properties of Cyclic Peptide Nanotubes by Experiment and Molecular Dynamics J. Comput.-Aided Mol. Des. 2008, 22, 773-781
    • (2008) J. Comput.-Aided Mol. Des. , vol.22 , pp. 773-781
    • Zhu, J.1    Cheng, J.2    Liao, Z.3    Lai, Z.4    Liu, B.5
  • 60
    • 62249174766 scopus 로고    scopus 로고
    • Self Assembly of Peptides near or within Membranes Using Coarse Grained Md Simulations
    • Khalfa, a.; Treptow, W.; Maigret, B.; Tarek, M. Self Assembly of Peptides near or within Membranes Using Coarse Grained Md Simulations Chem. Phys. 2009, 358, 161-170
    • (2009) Chem. Phys. , vol.358 , pp. 161-170
    • Khalfa, A.1    Treptow, W.2    Maigret, B.3    Tarek, M.4
  • 61
    • 77649122094 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation for the Structure of the Water Chain in a Transmembrane Peptide Nanotube
    • Liu, J.; Fan, J.; Tang, M.; Zhou, W. Molecular Dynamics Simulation for the Structure of the Water Chain in a Transmembrane Peptide Nanotube J. Phys. Chem. A 2010, 114, 2376-2383
    • (2010) J. Phys. Chem. A , vol.114 , pp. 2376-2383
    • Liu, J.1    Fan, J.2    Tang, M.3    Zhou, W.4
  • 62
    • 78649915651 scopus 로고    scopus 로고
    • Molecular Insights on the Cyclic Peptide Nanotube-Mediated Transportation of Antitumor Drug 5-Fluorouracil
    • Liu, H.; Chen, J.; Shen, Q.; Fu, W.; Wu, W. Molecular Insights on the Cyclic Peptide Nanotube-Mediated Transportation of Antitumor Drug 5-Fluorouracil Mol. Pharmaceutics 2010, 7, 1985-1994
    • (2010) Mol. Pharmaceutics , vol.7 , pp. 1985-1994
    • Liu, H.1    Chen, J.2    Shen, Q.3    Fu, W.4    Wu, W.5
  • 63
    • 84871864524 scopus 로고    scopus 로고
    • Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide-Based Nanotubes
    • Vijayaraj, R.; Damme, S. V.; Bultinck, P.; Subramaniam, V. Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide-Based Nanotubes J. Phys. Chem. B. 2012, 116, 9922-9933
    • (2012) J. Phys. Chem. B. , vol.116 , pp. 9922-9933
    • Vijayaraj, R.1    Damme, S.V.2    Bultinck, P.3    Subramaniam, V.4
  • 65
    • 70350639426 scopus 로고    scopus 로고
    • Theoretical Characterization of the Dynamical Behavior and Transport Properties of α,γ-Peptide Nanotubes in Solution
    • Garcia-Fandino, R.; Granja, J. R.; Marco, D. A.; Orozco, M. Theoretical Characterization of the Dynamical Behavior and Transport Properties of α,γ-Peptide Nanotubes in Solution J. Am. Chem. Soc. 2009, 131, 15678-15686
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 15678-15686
    • Garcia-Fandino, R.1    Granja, J.R.2    Marco, D.A.3    Orozco, M.4
  • 66
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    • Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 68
    • 0000730887 scopus 로고    scopus 로고
    • Application of the RESP methodology in the parametrization of organic solvents
    • Fox, T.; Kollman, P. Application of the RESP Methodology in the Parametrization of Organic Solvents J. Phys. Chem. B 1998, 102, 8070-8079 (Pubitemid 128578425)
    • (1998) Journal of Physical Chemistry B , vol.102 , Issue.41 , pp. 8070-8079
    • Fox, T.1    Kollman, P.A.2
  • 69
    • 0035974484 scopus 로고    scopus 로고
    • Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: Aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
    • DOI 10.1002/jcc.1065
    • Cieplak, P.; Caldwell, J.; Kollman, P. Molecular Mechanical Models for Organic and Biological Systems Going beyond the Atom Centered Two Body Additive Approximation: Aqueous Solution Free Energies of Methanol and N-Methyl Acetamide, Nucleic Acid Base, and Amide Hydrogen Bonding and Chloroform/Water Partition Coefficients of the Nucleic Acid Bases J. Comput. Chem. 2001, 22, 1048-1057 (Pubitemid 32614376)
    • (2001) Journal of Computational Chemistry , vol.22 , Issue.10 , pp. 1048-1057
    • Cieplak, P.1    Caldwell, J.2    Kollman, P.3
  • 70
    • 33748538349 scopus 로고    scopus 로고
    • Automatic atom type and bond type perception in molecular mechanical calculations
    • DOI 10.1016/j.jmgm.2005.12.005, PII S1093326305001737
    • Wang, J.; Wang, W.; Kollman, P. A.; Case, D. A. Automatic Atom Type and Bond Type Perception in Molecular Mechanical Calculations J. Mol. Graphics Modell 2006, 25, 247-260 (Pubitemid 44363172)
    • (2006) Journal of Molecular Graphics and Modelling , vol.25 , Issue.2 , pp. 247-260
    • Wang, J.1    Wang, W.2    Kollman, P.A.3    Case, D.A.4
  • 72
    • 0019707626 scopus 로고
    • Polymorphic transitions in single crystals: A new molecular dynamics method
    • DOI 10.1063/1.328693
    • Parrinello, M.; Rahman, A. Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190 (Pubitemid 12456820)
    • (1981) Journal of Applied Physics , vol.52 , Issue.12 , pp. 7182-7190
    • Parrinello, M.1    Rahman, A.2
  • 76
    • 84986497803 scopus 로고
    • Multidimensional Free-Energy Calculations Using the Weighted Histogram Analysis Method
    • Kumar, S.; Rosenberg, J. M.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A. Multidimensional Free-Energy Calculations Using the Weighted Histogram Analysis Method J. Comput. Chem. 1995, 16, 1339-1350
    • (1995) J. Comput. Chem. , vol.16 , pp. 1339-1350
    • Kumar, S.1    Rosenberg, J.M.2    Bouzida, D.3    Swendsen, R.H.4    Kollman, P.A.5
  • 78
    • 84986519238 scopus 로고    scopus 로고
    • The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method
    • Kumar, Sm.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method J. Comput. Chem. 2002, 13, 1011-1021
    • (2002) J. Comput. Chem. , vol.13 , pp. 1011-1021
    • Kumar, Sm.1    Bouzida, D.2    Swendsen, R.H.3    Kollman, P.A.4    Rosenberg, J.M.5
  • 80
    • 0030404988 scopus 로고    scopus 로고
    • HOLE: A program for the analysis of the pore dimensions of ion channel structural models
    • DOI 10.1016/S0263-7855(97)00009-X, PII S026378559700009X
    • Smart, O. S.; Neduvelil, J. G.; Wang, X.; Wallace, B. A.; Sansom, M. S. P. HOLE: a Program for the Analysis of the Pore Dimensions of Ion Channel Structural Models J. Mol. Graph. 1996, 14, 354-360 (Pubitemid 27302826)
    • (1996) Journal of Molecular Graphics , vol.14 , Issue.6 , pp. 354-360
    • Smart, O.S.1    Neduvelil, J.G.2    Wang, X.3    Wallace, B.A.4    Sansom, M.S.P.5
  • 81
    • 84878072900 scopus 로고    scopus 로고
    • Unpublished results.
    • Unpublished results.
  • 84
    • 80053585532 scopus 로고    scopus 로고
    • Peptide Nanotubes: Molecular Organisations, Self-Assembly Mechanisms and Applications
    • Valery, C.; Artzner, F.; Paternostre, M. Peptide Nanotubes: Molecular Organisations, Self-Assembly Mechanisms and Applications Soft Matter 2011, 7, 9583-9594
    • (2011) Soft Matter , vol.7 , pp. 9583-9594
    • Valery, C.1    Artzner, F.2    Paternostre, M.3


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