메뉴 건너뛰기




Volumn 118, Issue 32, 2014, Pages 9722-9732

Computational study of bacterial membrane disruption by cationic biocides: Structural basis for water pore formation

Author keywords

[No Author keywords available]

Indexed keywords

CELL MEMBRANES; CYTOLOGY; LIPID BILAYERS; MEMBRANES; MOLECULAR DYNAMICS; OLIGOMERS; STRUCTURE (COMPOSITION);

EID: 84906095616     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp504297s     Document Type: Article
Times cited : (16)

References (65)
  • 1
    • 34047261095 scopus 로고    scopus 로고
    • Estimating Healthcare-Associated Infections and Deaths in U.S. Hospitals, 2002
    • Klevens, R. M.; Edwards, J. R.; Richards, C. L. Estimating Healthcare-Associated Infections and Deaths in U.S. Hospitals, 2002 Public Health Rep. 2007, 122 (2) 160-166
    • (2007) Public Health Rep. , vol.122 , Issue.2 , pp. 160-166
    • Klevens, R.M.1    Edwards, J.R.2    Richards, C.L.3
  • 2
    • 37549038225 scopus 로고    scopus 로고
    • Does Antibiotic Exposure Increase the Risk of Methicillin-resistant Staphylococcus aureus (MRSA) Isolation? A Systematic Review and Meta-analysis
    • Tacconelli, E.; De Angelis, G.; Cataldo, M. A.; Pozzi, E.; Cauda, R. Does Antibiotic Exposure Increase the Risk of Methicillin-resistant Staphylococcus aureus (MRSA) Isolation? A Systematic Review and Meta-analysis J. Antimicrob. Chemother. 2008, 61 (1) 26-38
    • (2008) J. Antimicrob. Chemother. , vol.61 , Issue.1 , pp. 26-38
    • Tacconelli, E.1    De Angelis, G.2    Cataldo, M.A.3    Pozzi, E.4    Cauda, R.5
  • 3
    • 3142592643 scopus 로고    scopus 로고
    • Methicillin-Resistant Staphylococcus aureus in Hospitals and the Community: Stealth Dynamics and Control Catastrophes
    • Cooper, B. S.; Medley, G. F.; Stone, S. P. Methicillin-Resistant Staphylococcus aureus in Hospitals and the Community: Stealth Dynamics and Control Catastrophes Proc. Nat. Acad. Sci. U.S.A. 2004, 101 (27) 10223-10228
    • (2004) Proc. Nat. Acad. Sci. U.S.A. , vol.101 , Issue.27 , pp. 10223-10228
    • Cooper, B.S.1    Medley, G.F.2    Stone, S.P.3
  • 4
    • 84862748353 scopus 로고    scopus 로고
    • Modeling Methicillin-Resistant Staphylococcus aureus in Hospitals: Transmission Dynamics, Antibiotic Usage and its History
    • Chamchod, F.; Ruan, S. Modeling Methicillin-Resistant Staphylococcus aureus in Hospitals: Transmission Dynamics, Antibiotic Usage and its History Theor. Biol. Med. Modell. 2012, 9 (25).
    • (2012) Theor. Biol. Med. Modell. , vol.9 , Issue.25
    • Chamchod, F.1    Ruan, S.2
  • 5
    • 58549098096 scopus 로고    scopus 로고
    • Staphylococcus aureus Disease and Drug Resistance in Resource-Limited Countries in South and East Asia
    • Nickerson, E. K.; West, T. E.; Day, N. P.; Peacock, S. J. Staphylococcus aureus Disease and Drug Resistance in Resource-Limited Countries in South and East Asia Lancet Infect. Dis. 2009, 9, 130-135
    • (2009) Lancet Infect. Dis. , vol.9 , pp. 130-135
    • Nickerson, E.K.1    West, T.E.2    Day, N.P.3    Peacock, S.J.4
  • 6
    • 40049110955 scopus 로고    scopus 로고
    • More Challenges in the Prevention and Management of Community-Associated, Methicillin-Resistant Staphylococcus aureus Skin Disease
    • Gorwitz, R.; Fridkin, S. K.; Workowski, K. A. More Challenges in the Prevention and Management of Community-Associated, Methicillin-Resistant Staphylococcus aureus Skin Disease Ann. Int. Med. 2008, 148, 310-312
    • (2008) Ann. Int. Med. , vol.148 , pp. 310-312
    • Gorwitz, R.1    Fridkin, S.K.2    Workowski, K.A.3
  • 7
    • 0032007854 scopus 로고    scopus 로고
    • Cationic Peptides: A New Source of Antibiotics
    • Hancock, R. E. W.; Lehrer, R. Cationic Peptides: a New Source of Antibiotics Trends Biotechnol. 1998, 16 (2) 82-88
    • (1998) Trends Biotechnol. , vol.16 , Issue.2 , pp. 82-88
    • Hancock, R.E.W.1    Lehrer, R.2
  • 8
    • 0037050278 scopus 로고    scopus 로고
    • Role of Membranes in the Activities of Antimicrobial Cationic Peptides
    • Hancock, R. E.W.; Rozek, A. Role of Membranes in the Activities of Antimicrobial Cationic Peptides FEMS Microbiol. Lett. 2002, 206, 143-149
    • (2002) FEMS Microbiol. Lett. , vol.206 , pp. 143-149
    • Hancock, R.E.W.1    Rozek, A.2
  • 9
    • 0027592433 scopus 로고
    • Polymeric Phosphonium Salts as a Novel Class of Cationic Biocides. II. Effects of Counter Anion and Molecular Weight on Antibacterial Activity of Polymeric Phosphonium Salts
    • Kanazawa, A.; Ikeda, T.; Endo, T. Polymeric Phosphonium Salts as a Novel Class of Cationic Biocides. II. Effects of Counter Anion and Molecular Weight on Antibacterial Activity of Polymeric Phosphonium Salts J. Polym. Sci., Part A: Polym. Chem. 1993, 31, 1441-1447
    • (1993) J. Polym. Sci., Part A: Polym. Chem. , vol.31 , pp. 1441-1447
    • Kanazawa, A.1    Ikeda, T.2    Endo, T.3
  • 10
    • 0024102631 scopus 로고
    • Antibacterial Activity of Soluble Pyridinium-Type Polymers
    • Kawabata, N.; Nishiguchi, M. Antibacterial Activity of Soluble Pyridinium-Type Polymers Appl. Environ. Microbiol. 1988, 54 (10) 2532-2535
    • (1988) Appl. Environ. Microbiol. , vol.54 , Issue.10 , pp. 2532-2535
    • Kawabata, N.1    Nishiguchi, M.2
  • 11
    • 34249875391 scopus 로고    scopus 로고
    • The Chemistry and Applications of Antimicrobial Polymers: A State-of-the-Art Review
    • Kenawy, E.-R.; Worley, S. D.; Broughton, R. The Chemistry and Applications of Antimicrobial Polymers: A State-of-the-Art Review Biomacromolecules 2007, 8 (5) 1359-1384
    • (2007) Biomacromolecules , vol.8 , Issue.5 , pp. 1359-1384
    • Kenawy, E.-R.1    Worley, S.D.2    Broughton, R.3
  • 12
  • 13
    • 75449102744 scopus 로고    scopus 로고
    • De novo Design of Antimicrobial Polymers, Foldamers, and Small Molecules: From Discovery to Practical Applications
    • Tew, G. N.; Scott, R. W.; Klein, M. L.; Degrado, W. F. De novo Design of Antimicrobial Polymers, Foldamers, and Small Molecules: from Discovery to Practical Applications Acc. Chem. Res. 2010, 43, 30-39
    • (2010) Acc. Chem. Res. , vol.43 , pp. 30-39
    • Tew, G.N.1    Scott, R.W.2    Klein, M.L.3    Degrado, W.F.4
  • 14
    • 0028788193 scopus 로고
    • Molecular Recognition between Membrane-Spanning Polypeptides
    • Shai, Y. Molecular Recognition between Membrane-Spanning Polypeptides Trends Biochem. Sci. 1995, 20, 460-464
    • (1995) Trends Biochem. Sci. , vol.20 , pp. 460-464
    • Shai, Y.1
  • 15
    • 60749118913 scopus 로고    scopus 로고
    • Antimicrobial Peptides: Linking Partition, Activity and High Membrane-bound Concentrations
    • Melo, M. N.; Ferre, R.; Castanho, M. A. R. B. Antimicrobial Peptides: Linking Partition, Activity and High Membrane-bound Concentrations Nat. Rev. Microbiol. 2009, 7, 245-250
    • (2009) Nat. Rev. Microbiol. , vol.7 , pp. 245-250
    • Melo, M.N.1    Ferre, R.2    Castanho, M.A.R.B.3
  • 16
    • 0016311447 scopus 로고
    • A Molecular Model of Membrane Excitability
    • Baumann, G.; Mueller, P. A Molecular Model of Membrane Excitability J. Supramol. Struct. 1974, 2, 538-557
    • (1974) J. Supramol. Struct. , vol.2 , pp. 538-557
    • Baumann, G.1    Mueller, P.2
  • 17
    • 0016183539 scopus 로고
    • Statistical Analysis of Alamethicin Channels in Black Lipid Membranes
    • Boheim, G. Statistical Analysis of Alamethicin Channels in Black Lipid Membranes J. Membr. Biol. 1974, 19, 277-303
    • (1974) J. Membr. Biol. , vol.19 , pp. 277-303
    • Boheim, G.1
  • 18
    • 0015819062 scopus 로고
    • Fluorometric Measurements on the Interactton of Melittin with Lecithin
    • Mollay, C.; Krell, G. Fluorometric Measurements on the Interactton of Melittin with Lecithin Biochim. Biophys. Acta 1973, 316 (2) 196-203
    • (1973) Biochim. Biophys. Acta , vol.316 , Issue.2 , pp. 196-203
    • Mollay, C.1    Krell, G.2
  • 19
    • 0016375311 scopus 로고
    • The Action of Melittin on Phosphatide Multibilayers as Studied by Infrared Dichroism and Spin Labeling. A Model Approach to Lipid-protein Interactions
    • Verma, S. P.; Wallach, D. F.; Smith, I. C. The Action of Melittin on Phosphatide Multibilayers as Studied by Infrared Dichroism and Spin Labeling. A Model Approach to Lipid-protein Interactions Biochim. Biophys. Acta 1974, 345 (1) 129-140
    • (1974) Biochim. Biophys. Acta , vol.345 , Issue.1 , pp. 129-140
    • Verma, S.P.1    Wallach, D.F.2    Smith, I.C.3
  • 20
    • 2042513493 scopus 로고
    • Magainins, a Class of Antimicrobial Peptides from Xenopus Skin: Isolation, Characterization of Two Active Forms, and Partial cDNA Sequence of a Precursor
    • Zasloff, M. Magainins, a Class of Antimicrobial Peptides from Xenopus Skin: Isolation, Characterization of Two Active Forms, and Partial cDNA Sequence of a Precursor Proc. Nat. Acad. Sci. U.S.A. 1987, 84 (15) 5449-5453
    • (1987) Proc. Nat. Acad. Sci. U.S.A. , vol.84 , Issue.15 , pp. 5449-5453
    • Zasloff, M.1
  • 21
    • 0030738014 scopus 로고    scopus 로고
    • Interactions of an Antimicrobial Peptide, Magainin 2, with Outer and Inner Membranes of Gram-Negative Bacteria
    • Matsuzaki, K.; Sugishita, K.; Harada, M.; Fujii, N.; Miyajima, K. Interactions of an Antimicrobial Peptide, Magainin 2, with Outer and Inner Membranes of Gram-Negative Bacteria Biochim. Biophys. Acta 1997, 1327 (1) 119-130
    • (1997) Biochim. Biophys. Acta , vol.1327 , Issue.1 , pp. 119-130
    • Matsuzaki, K.1    Sugishita, K.2    Harada, M.3    Fujii, N.4    Miyajima, K.5
  • 22
    • 0034859096 scopus 로고    scopus 로고
    • Barrel-Stave Model or Toroidal Model? A Case Study on Melittin Pores
    • Yang, L.; Harroun, T. A.; Weiss, T. M.; Ding, L.; Huang, H. W. Barrel-Stave Model or Toroidal Model? A Case Study on Melittin Pores Biophys. J. 2001, 81 (3) 1475-1485
    • (2001) Biophys. J. , vol.81 , Issue.3 , pp. 1475-1485
    • Yang, L.1    Harroun, T.A.2    Weiss, T.M.3    Ding, L.4    Huang, H.W.5
  • 23
    • 0029775069 scopus 로고    scopus 로고
    • An Antimicrobial Peptide, Magainin 2, Induced Rapid Flip-Flop of Phospholipids Coupled with Pore Formation and Peptide Translocation
    • Matsuzaki, K.; Murase, O.; Fujii, N.; Miyajima, K. An Antimicrobial Peptide, Magainin 2, Induced Rapid Flip-Flop of Phospholipids Coupled with Pore Formation and Peptide Translocation Biochemistry 1996, 35, 11361-11368
    • (1996) Biochemistry , vol.35 , pp. 11361-11368
    • Matsuzaki, K.1    Murase, O.2    Fujii, N.3    Miyajima, K.4
  • 24
    • 79959572024 scopus 로고    scopus 로고
    • Spontaneous Buckling of Lipid Bilayer and Vesicle Budding induced by Antimicrobial Peptide Magainin 2: A Coarse-Grained Simulation Study
    • Woo, H.-J.; Wallqvist, A. Spontaneous Buckling of Lipid Bilayer and Vesicle Budding induced by Antimicrobial Peptide Magainin 2: A Coarse-Grained Simulation Study J. Phys. Chem. B 2011, 115, 8122-8129
    • (2011) J. Phys. Chem. B , vol.115 , pp. 8122-8129
    • Woo, H.-J.1    Wallqvist, A.2
  • 25
    • 0034029568 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of Hydrophobic and Amphiphatic Proteins Interacting with a Lipid Bilayer Membrane
    • Lin, J.-H.; Baumgaertner, A. Molecular Dynamics Simulations of Hydrophobic and Amphiphatic Proteins Interacting with a Lipid Bilayer Membrane Comput. Theor. Polym. Sci. 2000, 10, 97-102
    • (2000) Comput. Theor. Polym. Sci. , vol.10 , pp. 97-102
    • Lin, J.-H.1    Baumgaertner, A.2
  • 26
    • 84858027055 scopus 로고    scopus 로고
    • Difference between Magainin-2 and Melittin Assemblies in Phosphatidylcholine Bilayers: Results from Coarse-Grained Simulations
    • Santo, K. P.; Berkowitz, M. L. Difference between Magainin-2 and Melittin Assemblies in Phosphatidylcholine Bilayers: Results from Coarse-Grained Simulations J. Phys. Chem. B 2012, 116, 3021-3030
    • (2012) J. Phys. Chem. B , vol.116 , pp. 3021-3030
    • Santo, K.P.1    Berkowitz, M.L.2
  • 27
    • 66749128465 scopus 로고    scopus 로고
    • Interaction of an Antimicrobial Peptide with a Model Lipid Bilayer using Molecular Dynamics Simulation
    • Soliman, W.; Bhattacharjee, S.; Kaur, K. Interaction of an Antimicrobial Peptide with a Model Lipid Bilayer using Molecular Dynamics Simulation Langmuir 2009, 25, 6591-6595
    • (2009) Langmuir , vol.25 , pp. 6591-6595
    • Soliman, W.1    Bhattacharjee, S.2    Kaur, K.3
  • 28
    • 79959997001 scopus 로고    scopus 로고
    • Influence of the Arrangement and Secondary Structure of Melittin Peptides on the Formation and Stability of Toroidal Pores
    • Irudayam, S. J.; Berkowitz, M. L. Influence of the Arrangement and Secondary Structure of Melittin Peptides on the Formation and Stability of Toroidal Pores Biochim. Biophys. Acta 2011, 1808, 2258-2266
    • (2011) Biochim. Biophys. Acta , vol.1808 , pp. 2258-2266
    • Irudayam, S.J.1    Berkowitz, M.L.2
  • 29
    • 52049109183 scopus 로고    scopus 로고
    • Toroidal Pores Formed by Antimicrobial Peptides Show Significant Disorder
    • Sengupta, D.; Leontiadou, H.; Mark, A. E.; Marrink, S. Toroidal Pores Formed by Antimicrobial Peptides Show Significant Disorder Biochim. Biophys. Acta 2008, 1778 (10) 2308-2317
    • (2008) Biochim. Biophys. Acta , vol.1778 , Issue.10 , pp. 2308-2317
    • Sengupta, D.1    Leontiadou, H.2    Mark, A.E.3    Marrink, S.4
  • 30
    • 84865318587 scopus 로고    scopus 로고
    • Binding and Reorientation of Melittin in a POPC Bilayer: Computer Simulations
    • Irudayam, S. J.; Berkowitz, M. L. Binding and Reorientation of Melittin in a POPC Bilayer: Computer Simulations Biochim. Biophys. Acta 2012, 1818, 2975-2981
    • (2012) Biochim. Biophys. Acta , vol.1818 , pp. 2975-2981
    • Irudayam, S.J.1    Berkowitz, M.L.2
  • 31
    • 74949104869 scopus 로고    scopus 로고
    • Cause and Effect of Melittin-Induced Pore Formation: A Computational Approach
    • Manna, M.; Mukhopadhyay, C. Cause and Effect of Melittin-Induced Pore Formation: A Computational Approach Langmuir 2009, 25, 12235-12242
    • (2009) Langmuir , vol.25 , pp. 12235-12242
    • Manna, M.1    Mukhopadhyay, C.2
  • 32
    • 0033750821 scopus 로고    scopus 로고
    • Poly(aryleneethynylene)s: Syntheses, Properties, Structures, and Applications
    • Bunz, U. H. Poly(aryleneethynylene)s: Syntheses, Properties, Structures, and Applications Chem. Rev. 2000, 100, 1605-1644
    • (2000) Chem. Rev. , vol.100 , pp. 1605-1644
    • Bunz, U.H.1
  • 33
    • 70349784861 scopus 로고    scopus 로고
    • Conjugated Polyelectrolytes: Synthesis, Photophysics, and Applications
    • Jiang, H.; Taranekar, P.; Reynolds, J. R.; Schanze, K. S. Conjugated Polyelectrolytes: Synthesis, Photophysics, and Applications Angew. Chem. Int. Ed. 2009, 48, 4300-4316
    • (2009) Angew. Chem. Int. Ed. , vol.48 , pp. 4300-4316
    • Jiang, H.1    Taranekar, P.2    Reynolds, J.R.3    Schanze, K.S.4
  • 35
  • 37
    • 79953851274 scopus 로고    scopus 로고
    • Synthesis, Self-assembly, and Photophysical Properties of Cationic Oligo(p -Phenyleneethynylene)s
    • Tang, Y.; Hill, E. H.; Zhou, Z.; Evans, D. G.; Schanze, K. S.; Whitten, D. G. Synthesis, Self-assembly, and Photophysical Properties of Cationic Oligo(p -Phenyleneethynylene)s Langmuir 2011, 27, 4945-4955
    • (2011) Langmuir , vol.27 , pp. 4945-4955
    • Tang, Y.1    Hill, E.H.2    Zhou, Z.3    Evans, D.G.4    Schanze, K.S.5    Whitten, D.G.6
  • 39
    • 79953895968 scopus 로고    scopus 로고
    • Light-Induced Antibacterial Activity of Symmetrical and Asymmetrical Oligophenylene Ethynylenes
    • Tang, Y.; Corbitt, T. S.; Parthasarathy, A.; Zhou, Z.; Schanze, K. S.; Whitten, D. G. Light-Induced Antibacterial Activity of Symmetrical and Asymmetrical Oligophenylene Ethynylenes Langmuir 2011, 27, 4956-4962
    • (2011) Langmuir , vol.27 , pp. 4956-4962
    • Tang, Y.1    Corbitt, T.S.2    Parthasarathy, A.3    Zhou, Z.4    Schanze, K.S.5    Whitten, D.G.6
  • 40
    • 77955024631 scopus 로고    scopus 로고
    • Membrane Perturbation Activity of Cationic Phenylene Ethynylene Oligomers and Polymers: Selectivity against Model Bacterial and Mammalian Membranes
    • Wang, Y.; Tang, Y.; Zhou, Z.; Ji, E.; Lopez, G. P.; Chi, E. Y.; Schanze, K. S.; Whitten, D. G. Membrane Perturbation Activity of Cationic Phenylene Ethynylene Oligomers and Polymers: Selectivity against Model Bacterial and Mammalian Membranes Langmuir 2010, 26, 12509-12514
    • (2010) Langmuir , vol.26 , pp. 12509-12514
    • Wang, Y.1    Tang, Y.2    Zhou, Z.3    Ji, E.4    Lopez, G.P.5    Chi, E.Y.6    Schanze, K.S.7    Whitten, D.G.8
  • 41
    • 84872562640 scopus 로고    scopus 로고
    • Understanding the Dark and Light-Enhanced Bactericidal Action of Cationic Conjugated Polyelectrolytes and Oligomers
    • Wang, Y.; Jett, S. D.; Crum, J.; Schanze, K. S.; Chi, E. Y.; Whitten, D. G. Understanding the Dark and Light-Enhanced Bactericidal Action of Cationic Conjugated Polyelectrolytes and Oligomers Langmuir 2013, 29 (2) 781-792
    • (2013) Langmuir , vol.29 , Issue.2 , pp. 781-792
    • Wang, Y.1    Jett, S.D.2    Crum, J.3    Schanze, K.S.4    Chi, E.Y.5    Whitten, D.G.6
  • 42
    • 84867770502 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation Study of the Interaction of Cationic Biocides with Lipid Bilayers: Aggregation Effects and Bilayer Damage
    • Hill, E. H.; Stratton, K.; Whitten, D. G.; Evans, D. G. Molecular Dynamics Simulation Study of the Interaction of Cationic Biocides with Lipid Bilayers: Aggregation Effects and Bilayer Damage Langmuir 2012, 28, 14849-14854
    • (2012) Langmuir , vol.28 , pp. 14849-14854
    • Hill, E.H.1    Stratton, K.2    Whitten, D.G.3    Evans, D.G.4
  • 43
    • 47149096704 scopus 로고    scopus 로고
    • CHARMM-GUI: A Web-Based Graphical User Interface for CHARMM
    • Jo, S.; Kim, T.; Iyer, V. G.; Im, W. CHARMM-GUI: A Web-Based Graphical User Interface for CHARMM J. Comput. Chem. 2008, 29, 1859-1865
    • (2008) J. Comput. Chem. , vol.29 , pp. 1859-1865
    • Jo, S.1    Kim, T.2    Iyer, V.G.3    Im, W.4
  • 46
    • 0030844208 scopus 로고    scopus 로고
    • Molecular Dynamics Simulation of Unsaturated Lipids at Low Hydration: Parametrization and Comparison with Diffraction Studies
    • Feller, S. E.; Yin, D.; Pastor, R. W.; MacKerell, A. D., Jr. Molecular Dynamics Simulation of Unsaturated Lipids at Low Hydration: Parametrization and Comparison with Diffraction Studies Biophys. J. 1997, 73, 2269-2279
    • (1997) Biophys. J. , vol.73 , pp. 2269-2279
    • Feller, S.E.1    Yin, D.2    Pastor, R.W.3    Mackerell, Jr.A.D.4
  • 48
    • 36449003554 scopus 로고
    • Constant Pressure Molecular Dynamics Algorithms
    • Martyna, G. J.; Tobias, D. J.; Klein, M. L. Constant Pressure Molecular Dynamics Algorithms J. Chem. Phys. 1994, 101 (5) 4177-4189
    • (1994) J. Chem. Phys. , vol.101 , Issue.5 , pp. 4177-4189
    • Martyna, G.J.1    Tobias, D.J.2    Klein, M.L.3
  • 49
    • 33846823909 scopus 로고
    • Particle Mesh Ewald: An N log(N) Method for Ewald Sums in Large Systems
    • Darden, T. A.; York, D.; Pedersen, L. G. Particle Mesh Ewald: An N log(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089-10092
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.A.1    York, D.2    Pedersen, L.G.3
  • 50
    • 36449007836 scopus 로고
    • Constant Pressure Molecular Dynamics Simulation: The Langevin Piston Method
    • Feller, S. E.; Zhang, Y.; Pastor, R. W.; Brooks, B. R. Constant Pressure Molecular Dynamics Simulation: The Langevin Piston Method J. Chem. Phys. 1995, 103 (11) 4613-4621
    • (1995) J. Chem. Phys. , vol.103 , Issue.11 , pp. 4613-4621
    • Feller, S.E.1    Zhang, Y.2    Pastor, R.W.3    Brooks, B.R.4
  • 51
    • 79958841703 scopus 로고    scopus 로고
    • SwissParam, a Fast Force Field Generation Tool for Small Organic Molecules
    • Zoete, V.; Cuendet, M. A.; Grosdidier, A.; Michielin, O. SwissParam, a Fast Force Field Generation Tool For Small Organic Molecules J. Comput. Chem. 2011, 32 (11) 2359-2368
    • (2011) J. Comput. Chem. , vol.32 , Issue.11 , pp. 2359-2368
    • Zoete, V.1    Cuendet, M.A.2    Grosdidier, A.3    Michielin, O.4
  • 53
    • 65549083717 scopus 로고    scopus 로고
    • GridMAT-MD: A Grid-Based Membrane Analysis Tool for Use with Molecular Dynamics
    • Allen, W. J.; Lemkul, J. A.; Bevan, D. R. GridMAT-MD: A Grid-Based Membrane Analysis Tool for Use with Molecular Dynamics J. Comput. Chem. 2009, 30 (12) 1952-1958
    • (2009) J. Comput. Chem. , vol.30 , Issue.12 , pp. 1952-1958
    • Allen, W.J.1    Lemkul, J.A.2    Bevan, D.R.3
  • 54
    • 84888128917 scopus 로고    scopus 로고
    • Computing 1-D Atomic Densities in Macromolecular Simulations: The Density Profile Tool for VMD
    • Giorgino, T. Computing 1-D Atomic Densities in Macromolecular Simulations: The Density Profile Tool for VMD Comput. Phys. Commun. 2014, 185 (1) 317-322
    • (2014) Comput. Phys. Commun. , vol.185 , Issue.1 , pp. 317-322
    • Giorgino, T.1
  • 57
    • 84894099024 scopus 로고    scopus 로고
    • A Microscopic View of Phospholipid Insertion into Biological Membranes
    • Vermaas, J. V.; Tajkhorshid, E. A Microscopic View of Phospholipid Insertion into Biological Membranes J. Phys. Chem. B 2014, 118 (7) 1754-1764
    • (2014) J. Phys. Chem. B , vol.118 , Issue.7 , pp. 1754-1764
    • Vermaas, J.V.1    Tajkhorshid, E.2
  • 58
    • 84890462902 scopus 로고    scopus 로고
    • Surface-Tension Replica-Exchange Molecular Dynamics Method for Enhanced Sampling of Biological Membrane Systems
    • Mori, T.; Jung, J.; Sugita, Y. Surface-Tension Replica-Exchange Molecular Dynamics Method for Enhanced Sampling of Biological Membrane Systems J. Chem. Theory Comput. 2013, 9 (12) 5629-5640
    • (2013) J. Chem. Theory Comput. , vol.9 , Issue.12 , pp. 5629-5640
    • Mori, T.1    Jung, J.2    Sugita, Y.3
  • 59
    • 0033151774 scopus 로고    scopus 로고
    • Mechanism of Interaction of Different Classes of Cationic Antimicrobial Peptides with Planar Bilayers and with the Cytoplasmic Membrane of Escherichia coli
    • Wu, M.; Maier, E.; Benz, R.; Hancock, R. E. W. Mechanism of Interaction of Different Classes of Cationic Antimicrobial Peptides with Planar Bilayers and with the Cytoplasmic Membrane of Escherichia coli Biochemistry 1999, 38 (22) 7235-7242
    • (1999) Biochemistry , vol.38 , Issue.22 , pp. 7235-7242
    • Wu, M.1    Maier, E.2    Benz, R.3    Hancock, R.E.W.4
  • 61
    • 84880022273 scopus 로고    scopus 로고
    • PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
    • Roe, D. R.; Cheatham, T. E., III PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data J. Chem. Theory Comput. 2013, 9 (7) 3084-3095
    • (2013) J. Chem. Theory Comput. , vol.9 , Issue.7 , pp. 3084-3095
    • Roe, D.R.1
  • 62
    • 77952549044 scopus 로고    scopus 로고
    • Lipid Clustering by Three Homologous Arginine-Rich Antimicrobial Peptides is Insensitive to Amino Acid Arrangement and Induced Secondary Structure
    • Epand, R. M.; Epand, R. F.; Shai, Y. Lipid Clustering by Three Homologous Arginine-Rich Antimicrobial Peptides is Insensitive to Amino Acid Arrangement and Induced Secondary Structure Biochim. Biophys. Acta 2010, 1798, 1272-1280
    • (2010) Biochim. Biophys. Acta , vol.1798 , pp. 1272-1280
    • Epand, R.M.1    Epand, R.F.2    Shai, Y.3
  • 64
    • 84874933223 scopus 로고    scopus 로고
    • The Enhanced Membrane Interaction and Perturbation of a Cell Penetrating Peptide in the Presence of Anionic Lipids: Toward an Understanding of Its Selectivity for Cancer Cells
    • Jobin, M.-L.; Bonnafous, P.; Temsamani, H.; Dole, F.; Grélard, A.; Dufourc, E. J. The Enhanced Membrane Interaction and Perturbation of a Cell Penetrating Peptide in the Presence of Anionic Lipids: Toward an Understanding of Its Selectivity for Cancer Cells Biochim. Biophys. Acta 2013, 1828, 1457-70
    • (2013) Biochim. Biophys. Acta , vol.1828 , pp. 1457-1470
    • Jobin, M.-L.1    Bonnafous, P.2    Temsamani, H.3    Dole, F.4    Grélard, A.5    Dufourc, E.J.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.