-
1
-
-
79953895968
-
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, 4956-62
-
(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
-
2
-
-
84862908622
-
Direct Visualization of Bactericidal Action of Cationic Conjugated Polyelectrolytes and Oligomers
-
Wang, Y.; Corbitt, T. S.; Jett, S. D.; Tang, Y.; Schanze, K. S.; Chi, E. Y.; Whitten, D. G. Direct Visualization of Bactericidal Action of Cationic Conjugated Polyelectrolytes and Oligomers Langmuir 2011, 28, 65-70
-
(2011)
Langmuir
, vol.28
, pp. 65-70
-
-
Wang, Y.1
Corbitt, T.S.2
Jett, S.D.3
Tang, Y.4
Schanze, K.S.5
Chi, E.Y.6
Whitten, D.G.7
-
3
-
-
77955024631
-
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
-
4
-
-
84864645871
-
Membrane Activity of Antimicrobial Phenylene Ethynylene Based Polymers and Oligomers
-
Wang, Y.; Chi, E. Y.; Schanze, K. S.; Whitten, D. G. Membrane Activity of Antimicrobial Phenylene Ethynylene Based Polymers and Oligomers Soft Matter 2012, 8, 8547-8558
-
(2012)
Soft Matter
, vol.8
, pp. 8547-8558
-
-
Wang, Y.1
Chi, E.Y.2
Schanze, K.S.3
Whitten, D.G.4
-
5
-
-
0037443086
-
Dermaseptin S3 with Lipid Bilayers: Molecular-Dynamics Simulations
-
Shepherd, C. M.; Vogel, H. J.; Tieleman, D. P. Dermaseptin S3 with Lipid Bilayers: Molecular-Dynamics Simulations Biochem. J. 2003, 370, 233-243
-
(2003)
Biochem. J.
, vol.370
, pp. 233-243
-
-
Shepherd, C.M.1
Vogel, H.J.2
Tieleman, D.P.3
-
6
-
-
33244480135
-
Characterization of Nonbiological Antimicrobial Polymers in Aqueous Solution and at Water-Lipid Interfaces from All-Atom Molecular Dynamics
-
Ivanov, I.; Vemparala, S.; Pophristic, V.; Kuroda, K.; DeGrado, W. F.; McCammon, J. A.; Klein, M. L. Characterization of Nonbiological Antimicrobial Polymers in Aqueous Solution and at Water-Lipid Interfaces from All-Atom Molecular Dynamics J. Am. Chem. Soc. 2006, 128, 1778-1779
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 1778-1779
-
-
Ivanov, I.1
Vemparala, S.2
Pophristic, V.3
Kuroda, K.4
Degrado, W.F.5
McCammon, J.A.6
Klein, M.L.7
-
7
-
-
33748783804
-
Antimicrobial Peptides in Action
-
Leontiadou, H.; Mark, A. E.; Marrink, S. J. Antimicrobial Peptides in Action J. Am. Chem. Soc. 2006, 128, 12156-12161
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 12156-12161
-
-
Leontiadou, H.1
Mark, A.E.2
Marrink, S.J.3
-
8
-
-
52049109183
-
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, 2308-2317
-
(2008)
Biochim. Biophys. Acta
, vol.1778
, pp. 2308-2317
-
-
Sengupta, D.1
Leontiadou, H.2
Mark, A.E.3
Marrink, S.4
-
9
-
-
84865318587
-
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
-
10
-
-
74949104869
-
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
-
11
-
-
69349092183
-
Coupling Molecular Dynamics Simulations with Experiments for the Rational Design of Indolicidin-Analogous Antimicrobial Peptides
-
Tsai, C.-W.; Hsu, N.-Y.; Wang, C.-H.; Lu, C.-Y.; Chang, Y.; Tsai, H.-H. G.; Ruaan, R.-C. Coupling Molecular Dynamics Simulations with Experiments for the Rational Design of Indolicidin-Analogous Antimicrobial Peptides J. Mol. Biol. 2009, 392, 837-854
-
(2009)
J. Mol. Biol.
, vol.392
, pp. 837-854
-
-
Tsai, C.-W.1
Hsu, N.-Y.2
Wang, C.-H.3
Lu, C.-Y.4
Chang, Y.5
Tsai, H.-H.G.6
Ruaan, R.-C.7
-
12
-
-
67650076379
-
Incorporation of Antimicrobial Peptides into Membranes: A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC Bicelles
-
Dittmer, J.; Thøgersen, L.; Underhaug, J.; Bertelsen, K.; Vosegaard, T.; Pedersen, J. M.; Schiøtt, B.; Tajkhorshid, E.; Skrydstrup, T.; Nielsen, N. C. Incorporation of Antimicrobial Peptides into Membranes: A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC Bicelles J. Phys. Chem. B 2009, 113, 6928-6937
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6928-6937
-
-
Dittmer, J.1
Thøgersen, L.2
Underhaug, J.3
Bertelsen, K.4
Vosegaard, T.5
Pedersen, J.M.6
Schiøtt, B.7
Tajkhorshid, E.8
Skrydstrup, T.9
Nielsen, N.C.10
-
13
-
-
79959997001
-
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
-
14
-
-
66749128465
-
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
-
15
-
-
84858027055
-
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
-
16
-
-
54249159300
-
Lipid Bilayer Curvature and Pore Formation Induced by Charged Linear Polymers and Dendrimers: The Effect of Molecular Shape
-
Lee, H.; Larson, R. G. Lipid Bilayer Curvature and Pore Formation Induced by Charged Linear Polymers and Dendrimers: The Effect of Molecular Shape J. Phys. Chem. B 2008, 112, 12279-12285
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 12279-12285
-
-
Lee, H.1
Larson, R.G.2
-
17
-
-
0034029568
-
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 Comp. Theor. Polym. Sci. 2000, 10, 97-102
-
(2000)
Comp. Theor. Polym. Sci.
, vol.10
, pp. 97-102
-
-
Lin, J.-H.1
Baumgaertner, A.2
-
18
-
-
79959572024
-
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
-
19
-
-
47149096704
-
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
-
20
-
-
27344436659
-
Scalable Molecular Dynamics with NAMD
-
Phillips, J. C.;; Braun, R.;; Wang, W.;; Gumbart, J.;; Tajkhorshid, E.;; Villa, E.;; Chipot, C.; Skeel, R. D.;; Kale, L.; Schulten, K. Scalable Molecular Dynamics with NAMD. J. Comput. Chem. 2005, 26, 1781-1802; http://www.ks.uiuc. edu/Research/namd/.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kale, L.9
Schulten, K.10
-
21
-
-
79958841703
-
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, 2359-2368
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2359-2368
-
-
Zoete, V.1
Cuendet, M.A.2
Grosdidier, A.3
Michielin, O.4
-
22
-
-
0038626673
-
-
J. A. revision C.02; Gaussian, Inc. Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch1
Trucks, M.J.2
Schlegel, G.W.3
Scuseria, H.B.4
Robb, G.E.5
Cheeseman, M.A.6
Montgomery, J.R.7
Vreven, Jr.J.A.8
Kudin, T.9
Burant, K.N.10
Millam, J.C.11
Iyengar, J.M.12
Tomasi, S.S.13
Barone, J.14
Mennucci, V.15
Cossi, B.16
Scalmani, M.17
Rega, G.18
Petersson, N.19
Nakatsuji, G.A.20
Hada, H.21
Ehara, M.22
Toyota, M.23
Fukuda, K.24
Hasegawa, R.25
Ishida, J.26
Nakajima, M.27
Honda, T.28
Kitao, Y.29
Nakai, O.30
Klene, H.31
Li, M.32
Knox, X.33
Hratchian, J.E.34
Cross, H.P.35
Bakken, J.B.36
Adamo, V.37
Jaramillo, C.38
Gomperts, J.39
Stratmann, R.40
Yazyev, R.E.41
Austin, O.42
Cammi, A.J.43
Pomelli, R.44
Ochterski, C.45
Ayala, J.W.46
Morokuma, P.Y.47
Voth, K.48
Salvador, G.A.49
Dannenberg, P.50
Zakrzewski, J.J.51
Dapprich, V.G.52
Daniels, S.53
Strain, A.D.54
Farkas, M.C.55
Malick, O.56
Rabuck, D.K.57
Raghavachari, A.D.58
Foresman, K.59
Ortiz, J.B.60
Cui, J.V.61
Baboul, Q.62
Clifford, A.G.63
Cioslowski, S.64
Stefanov, J.65
Liu, B.B.66
Liashenko, G.67
Piskorz, A.68
Komaromi, P.69
Martin, I.70
Fox, R.L.71
Keith, D.J.72
Al-Laham, T.73
Peng, M.A.74
Nanayakkara, C.Y.75
Challacombe, A.76
Gill, M.77
Johnson, P.M.W.78
Chen, B.79
Wong, W.80
Gonzalez, M.W.81
Pople, C.82
more..
-
23
-
-
65549083717
-
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, 1952-1958
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1952-1958
-
-
Allen, W.J.1
Lemkul, J.A.2
Bevan, D.R.3
-
24
-
-
0029878720
-
VMD - Visual Molecular Dynamics
-
Humphrey, W.; Dalke, A.; Schulten, K. VMD-Visual Molecular Dynamics J. Mol. Graphics 1996, 14, 33-38
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
25
-
-
79953851274
-
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
-
26
-
-
0028178521
-
Pore-Forming Peptides Induce Rapid Phospholipid Flip-Flop in Membranes
-
Fattal, E; Nir, S.; Parente, R. A.; Szoka, F. C., Jr. Pore-Forming Peptides Induce Rapid Phospholipid Flip-Flop in Membranes Biochemistry 1994, 33, 6721-6731
-
(1994)
Biochemistry
, vol.33
, pp. 6721-6731
-
-
Fattal, E.1
Nir, S.2
Parente, R.A.3
Szoka, Jr.F.C.4
-
27
-
-
0029775069
-
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
-
28
-
-
33749182054
-
Lipids out of Equilibrium: Energetics of Desorption and Pore Mediated Flip-Flop
-
Tieleman, D. P.; Marrink, S. Lipids Out of Equilibrium: Energetics of Desorption and Pore Mediated Flip-Flop J. Am. Chem. Soc. 2006, 128, 12462-12467
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 12462-12467
-
-
Tieleman, D.P.1
Marrink, S.2
-
29
-
-
37249011366
-
Molecular Mechanism for Lipid Flip-Flops
-
Gurtovenko, A. A.; Vattulainen, I. Molecular Mechanism for Lipid Flip-Flops J. Phys. Chem. B 2007, 111, 13554-13559
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 13554-13559
-
-
Gurtovenko, A.A.1
Vattulainen, I.2
-
30
-
-
65649116526
-
Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a Lipid Bilayer
-
Hwang, H.; Schatz, G. C.; Ratner, M. A. Coarse-Grained Molecular Dynamics Study of Cyclic Peptide Nanotube Insertion into a Lipid Bilayer J. Phys. Chem. A 2009, 113, 4780-4787
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 4780-4787
-
-
Hwang, H.1
Schatz, G.C.2
Ratner, M.A.3
|