-
1
-
-
0016138375
-
Structure and biogenesis of the cell envelope of gram-negative bacteria
-
Osborn, M. J., Rick, P. D., Lehmann, V., Rupprecht, E. & Singh, M. Structure and biogenesis of the cell envelope of gram-negative bacteria. Ann N Y Acad Sci 235, 52-65 (1974).
-
(1974)
Ann N y Acad Sci
, vol.235
, pp. 52-65
-
-
Osborn, M.J.1
Rick, P.D.2
Lehmann, V.3
Rupprecht, E.4
Singh, M.5
-
2
-
-
69249230732
-
Transport of lipopolysaccharide across the cell envelope: The long road of discovery
-
Ruiz, N., Kahne, D. & Silhavy, T. J. Transport of lipopolysaccharide across the cell envelope: the long road of discovery. Nat Rev Microbiol 7, 677-683 (2009).
-
(2009)
Nat Rev Microbiol
, vol.7
, pp. 677-683
-
-
Ruiz, N.1
Kahne, D.2
Silhavy, T.J.3
-
3
-
-
0036629937
-
Structure and function of lipopolysaccharides
-
Erridge, C., Bennett-Guerrero, E. & Poxton, I. R. Structure and function of lipopolysaccharides. Microbes Infect 4, 837-851 (2002).
-
(2002)
Microbes Infect
, vol.4
, pp. 837-851
-
-
Erridge, C.1
Bennett-Guerrero, E.2
Poxton, I.R.3
-
4
-
-
0347479229
-
Molecular basis of bacterial outer membrane permeability revisited
-
Nikaido, H. Molecular basis of bacterial outer membrane permeability revisited. Microbiol Mol Biol Rev 67, 593-656 (2003).
-
(2003)
Microbiol Mol Biol Rev
, vol.67
, pp. 593-656
-
-
Nikaido, H.1
-
5
-
-
64649088018
-
Outer membrane permeability and antibiotic resistance
-
Delcour, A. H. Outer membrane permeability and antibiotic resistance. Biochim Biophys Acta 1794, 808-816 (2009).
-
(2009)
Biochim Biophys Acta
, vol.1794
, pp. 808-816
-
-
Delcour, A.H.1
-
6
-
-
73949133993
-
The molecular basis of the host response to lipopolysaccharide
-
Bryant, C. E., Spring, D. R., Gangloff, M. & Gay, N. J. The molecular basis of the host response to lipopolysaccharide. Nat Rev Microbiol 8, 8-14 (2010).
-
(2010)
Nat Rev Microbiol
, vol.8
, pp. 8-14
-
-
Bryant, C.E.1
Spring, D.R.2
Gangloff, M.3
Gay, N.J.4
-
7
-
-
32944464648
-
Pathogen recognition and innate immunity
-
Akira, S., Uematsu, S. & Takeuchi, O. Pathogen recognition and innate immunity. Cell 124, 783-801 (2006).
-
(2006)
Cell
, vol.124
, pp. 783-801
-
-
Akira, S.1
Uematsu, S.2
Takeuchi, O.3
-
8
-
-
40749097627
-
A dimer of the Toll-like receptor 4 cytoplasmic domain provides a specific scaffold for the recruitment of signalling adaptor proteins
-
Nunez Miguel, R. et al. A dimer of the Toll-like receptor 4 cytoplasmic domain provides a specific scaffold for the recruitment of signalling adaptor proteins. PLoS One 2, e788 (2007).
-
(2007)
PLoS One
, vol.2
, pp. e788
-
-
Nunez Miguel, R.1
-
9
-
-
33748090945
-
Toll-like receptors as molecular switches
-
Gay, N. J., Gangloff, M. & Weber, A. N. Toll-like receptors as molecular switches. Nat Rev Immunol 6, 693-698 (2006).
-
(2006)
Nat Rev Immunol
, vol.6
, pp. 693-698
-
-
Gay, N.J.1
Gangloff, M.2
Weber, A.N.3
-
10
-
-
67649422321
-
Therapeutic targeting of Toll-like receptors for infectious and inflammatory diseases and cancer
-
O'Neill, L. A., Bryant, C. E. & Doyle, S. L. Therapeutic targeting of Toll-like receptors for infectious and inflammatory diseases and cancer. Pharmacol Rev 61, 177-197 (2009).
-
(2009)
Pharmacol Rev
, vol.61
, pp. 177-197
-
-
O'Neill, L.A.1
Bryant, C.E.2
Doyle, S.L.3
-
11
-
-
84879418353
-
Fortifying the barrier: The impact of lipid A remodelling on bacterial pathogenesis
-
Needham, B. D. & Trent, M. S. Fortifying the barrier: the impact of lipid A remodelling on bacterial pathogenesis. Nat Rev Microbiol 11, 467-481 (2013).
-
(2013)
Nat Rev Microbiol
, vol.11
, pp. 467-481
-
-
Needham, B.D.1
Trent, M.S.2
-
12
-
-
0037372661
-
Inhibition of endotoxin response by e5564, a novel Toll-like receptor 4-directed endotoxin antagonist
-
Mullarkey, M. et al. Inhibition of endotoxin response by e5564, a novel Toll-like receptor 4-directed endotoxin antagonist. J Pharmacol Exp Ther 304, 1093-1102 (2003).
-
(2003)
J Pharmacol Exp Ther
, vol.304
, pp. 1093-1102
-
-
Mullarkey, M.1
-
13
-
-
45949103247
-
Effects of the second-generation synthetic lipid A analogue E5564 on responses to endotoxin in [corrected] equine whole blood and monocytes
-
Figueiredo, M. D., Moore, J. N., Vandenplas, M. L., Sun, W. C. & Murray, T. F. Effects of the second-generation synthetic lipid A analogue E5564 on responses to endotoxin in [corrected] equine whole blood and monocytes. Am J Vet Res 69, 796-803 (2008).
-
(2008)
Am J Vet Res
, vol.69
, pp. 796-803
-
-
Figueiredo, M.D.1
Moore, J.N.2
Vandenplas, M.L.3
Sun, W.C.4
Murray, T.F.5
-
14
-
-
0035851092
-
MD-2 binds to bacterial lipopolysaccharide
-
Viriyakosol, S., Tobias, P. S., Kitchens, R. L. & Kirkland, T. N. MD-2 binds to bacterial lipopolysaccharide. J Biol Chem 276, 38044-38051 (2001).
-
(2001)
J Biol Chem
, vol.276
, pp. 38044-38051
-
-
Viriyakosol, S.1
Tobias, P.S.2
Kitchens, R.L.3
Kirkland, T.N.4
-
15
-
-
34548222514
-
Crystal structure of the TLR4-MD-2 complex with bound endotoxin antagonist Eritoran
-
Kim, H. M. et al. Crystal structure of the TLR4-MD-2 complex with bound endotoxin antagonist Eritoran. Cell 130, 906-917 (2007).
-
(2007)
Cell
, vol.130
, pp. 906-917
-
-
Kim, H.M.1
-
16
-
-
67349182481
-
The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex
-
Park, B. S. et al. The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex. Nature 458, 1191-1195 (2009).
-
(2009)
Nature
, vol.458
, pp. 1191-1195
-
-
Park, B.S.1
-
17
-
-
34250813748
-
Crystal structures of human MD-2 and its complex with antiendotoxic lipid IVa
-
Ohto, U., Fukase, K., Miyake, K. & Satow, Y. Crystal structures of human MD-2 and its complex with antiendotoxic lipid IVa. Science 316, 1632-1634 (2007).
-
(2007)
Science
, vol.316
, pp. 1632-1634
-
-
Ohto, U.1
Fukase, K.2
Miyake, K.3
Satow, Y.4
-
18
-
-
84890959830
-
The structural basis for endotoxin-induced allosteric regulation of the Toll-like receptor 4 (TLR4) innate immune receptor
-
Paramo, T., Piggot, T. J., Bryant, C. E. & Bond, P. J. The structural basis for endotoxin-induced allosteric regulation of the Toll-like receptor 4 (TLR4) innate immune receptor. J Biol Chem 288, 36215-36225 (2013).
-
(2013)
J Biol Chem
, vol.288
, pp. 36215-36225
-
-
Paramo, T.1
Piggot, T.J.2
Bryant, C.E.3
Bond, P.J.4
-
19
-
-
0036558018
-
ML-A conserved domain involved in innate immunity and lipid metabolism
-
Inohara, N. & Nunez, G. ML-a conserved domain involved in innate immunity and lipid metabolism. Trends Biochem Sci 27, 219-221 (2002).
-
(2002)
Trends Biochem Sci
, vol.27
, pp. 219-221
-
-
Inohara, N.1
Nunez, G.2
-
20
-
-
18244371923
-
NMR study on the major mite allergen der f 2: Its refined tertiary structure, epitopes for monoclonal antibodies and characteristics shared by ML protein group members
-
Ichikawa, S. et al. NMR study on the major mite allergen Der f 2: its refined tertiary structure, epitopes for monoclonal antibodies and characteristics shared by ML protein group members. J Biochem 137, 255-263 (2005).
-
(2005)
J Biochem
, vol.137
, pp. 255-263
-
-
Ichikawa, S.1
-
21
-
-
0032531058
-
Tertiary structure of the major house dust mite allergen der p 2: Sequential and structural homologies
-
Mueller, G. A., Benjamin, D. C. & Rule, G. S. Tertiary structure of the major house dust mite allergen Der p 2: sequential and structural homologies. Biochemistry 37, 12707-12714 (1998).
-
(1998)
Biochemistry
, vol.37
, pp. 12707-12714
-
-
Mueller, G.A.1
Benjamin, D.C.2
Rule, G.S.3
-
22
-
-
84860870432
-
NMR studies of hexaacylated endotoxin bound to wild-type and F126A mutant MD-2 and MD-2.TLR4 ectodomain complexes
-
Yu, L. et al. NMR studies of hexaacylated endotoxin bound to wild-type and F126A mutant MD-2 and MD-2.TLR4 ectodomain complexes. J Biol Chem 287, 16346-16355 (2012).
-
(2012)
J Biol Chem
, vol.287
, pp. 16346-16355
-
-
Yu, L.1
-
23
-
-
33646494167
-
Regulatory roles for MD-2 and TLR4 in ligand-induced receptor clustering
-
Kobayashi, M. et al. Regulatory roles for MD-2 and TLR4 in ligand-induced receptor clustering. J Immunol 176, 6211-6218 (2006).
-
(2006)
J Immunol
, vol.176
, pp. 6211-6218
-
-
Kobayashi, M.1
-
24
-
-
38349186906
-
Novel roles in human MD-2 of phenylalanines 121 and 126 and tyrosine 131 in activation of Toll-like receptor 4 by endotoxin
-
Teghanemt, A. et al. Novel roles in human MD-2 of phenylalanines 121 and 126 and tyrosine 131 in activation of Toll-like receptor 4 by endotoxin. J Biol Chem 283, 1257-1266 (2008).
-
(2008)
J Biol Chem
, vol.283
, pp. 1257-1266
-
-
Teghanemt, A.1
-
25
-
-
34547553097
-
The physicochemistry of endotoxins in relation to bioactivity
-
Gutsmann, T., Schromm, A. B. & Brandenburg, K. The physicochemistry of endotoxins in relation to bioactivity. Int J Med Microbiol 297, 341-352 (2007).
-
(2007)
Int J Med Microbiol
, vol.297
, pp. 341-352
-
-
Gutsmann, T.1
Schromm, A.B.2
Brandenburg, K.3
-
26
-
-
0025220127
-
A mutant of Escherichia coli defective in the first step of endotoxin biosynthesis
-
Galloway, S. M. & Raetz, C. R. A mutant of Escherichia coli defective in the first step of endotoxin biosynthesis. J Biol Chem 265, 6394-6402 (1990).
-
(1990)
J Biol Chem
, vol.265
, pp. 6394-6402
-
-
Galloway, S.M.1
Raetz, C.R.2
-
27
-
-
29944441136
-
Determination of critical micelle concentrations and aggregation numbers by fluorescence correlation spectroscopy: Aggregation of a lipopolysaccharide
-
Yu, L., Tan, M., Ho, B., Ding, J. L. & Wohland, T. Determination of critical micelle concentrations and aggregation numbers by fluorescence correlation spectroscopy: aggregation of a lipopolysaccharide. Anal Chim Acta 556, 216-225 (2006).
-
(2006)
Anal Chim Acta
, vol.556
, pp. 216-225
-
-
Yu, L.1
Tan, M.2
Ho, B.3
Ding, J.L.4
Wohland, T.5
-
28
-
-
0037415015
-
Evaluation of lipopolysaccharide aggregation by light scattering spectroscopy
-
Santos, N. C., Silva, A. C., Castanho, M. A., Martins-Silva, J. & Saldanha, C. Evaluation of lipopolysaccharide aggregation by light scattering spectroscopy. ChemBioChem 4, 96-100 (2003).
-
(2003)
ChemBioChem
, vol.4
, pp. 96-100
-
-
Santos, N.C.1
Silva, A.C.2
Castanho, M.A.3
Martins-Silva, J.4
Saldanha, C.5
-
29
-
-
37549001771
-
Transfer of monomeric endotoxin from MD-2 to CD14: Characterization and functional consequences
-
Teghanemt, A., Prohinar, P., Gioannini, T. L. & Weiss, J. P. Transfer of monomeric endotoxin from MD-2 to CD14: characterization and functional consequences. J Biol Chem 282, 36250-36256 (2007).
-
(2007)
J Biol Chem
, vol.282
, pp. 36250-36256
-
-
Teghanemt, A.1
Prohinar, P.2
Gioannini, T.L.3
Weiss, J.P.4
-
30
-
-
48749127416
-
Elucidation of the MD-2/TLR4 interface required for signaling by lipid IVa
-
Walsh, C. et al. Elucidation of the MD-2/TLR4 interface required for signaling by lipid IVa. J Immunol 181, 1245-1254 (2008).
-
(2008)
J Immunol
, vol.181
, pp. 1245-1254
-
-
Walsh, C.1
-
32
-
-
77954100856
-
Novel roles of lysines 122, 125, and 58 in functional differences between human and murine MD-2
-
Vasl, J., Oblak, A., Gioannini, T. L., Weiss, J. P. & Jerala, R. Novel roles of lysines 122, 125, and 58 in functional differences between human and murine MD-2. J Immunol 183, 5138-5145 (2009).
-
(2009)
J Immunol
, vol.183
, pp. 5138-5145
-
-
Vasl, J.1
Oblak, A.2
Gioannini, T.L.3
Weiss, J.P.4
Jerala, R.5
-
33
-
-
67649386535
-
Essential roles of hydrophobic residues in both MD-2 and toll-like receptor 4 in activation by endotoxin
-
Resman, N. et al. Essential roles of hydrophobic residues in both MD-2 and toll-like receptor 4 in activation by endotoxin. J Biol Chem 284, 15052-15060 (2009).
-
(2009)
J Biol Chem
, vol.284
, pp. 15052-15060
-
-
Resman, N.1
-
34
-
-
1642529500
-
Isolation of an endotoxin-MD-2 complex that produces Toll-like receptor 4-dependent cell activation at picomolar concentrations
-
Gioannini, T. L. et al. Isolation of an endotoxin-MD-2 complex that produces Toll-like receptor 4-dependent cell activation at picomolar concentrations. Proc Natl Acad Sci USA 101, 4186-4191 (2004).
-
(2004)
Proc Natl Acad Sci USA
, vol.101
, pp. 4186-4191
-
-
Gioannini, T.L.1
-
35
-
-
0033532629
-
MD-2, a molecule that confers lipopolysaccharide responsiveness on Toll-like receptor 4
-
Shimazu, R. et al. MD-2, a molecule that confers lipopolysaccharide responsiveness on Toll-like receptor 4. J Exp Med 189, 1777-1782 (1999).
-
(1999)
J Exp Med
, vol.189
, pp. 1777-1782
-
-
Shimazu, R.1
-
36
-
-
48549109541
-
Physical aspects of structure and function of membranes made from lipopolysaccharides and free lipid A
-
Brandenburg, K. & Seydel, U. Physical aspects of structure and function of membranes made from lipopolysaccharides and free lipid A. Biochim Biophys Acta 775, 225-238 (1984).
-
(1984)
Biochim Biophys Acta
, vol.775
, pp. 225-238
-
-
Brandenburg, K.1
Seydel, U.2
-
37
-
-
0033578344
-
Lipopolysaccharide bilayer structure: Effect of chemotype, core mutations, divalent cations, and temperature
-
Snyder, S., Kim, D. & McIntosh, T. J. Lipopolysaccharide bilayer structure: effect of chemotype, core mutations, divalent cations, and temperature. Biochemistry 38, 10758-10767 (1999).
-
(1999)
Biochemistry
, vol.38
, pp. 10758-10767
-
-
Snyder, S.1
Kim, D.2
McIntosh, T.J.3
-
38
-
-
80855139866
-
Electroporation of the e
-
Piggot, T. J., Holdbrook, D. A. & Khalid, S. Electroporation of the E. coli and S. Aureus membranes: molecular dynamics simulations of complex bacterial membranes. J Phys Chem B 115, 13381-13388 (2011).
-
(2011)
Coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes. J Phys Chem B
, vol.115
, pp. 13381-13388
-
-
Piggot, T.J.1
Holdbrook, D.A.2
Khalid, S.3
-
39
-
-
0025543112
-
Phase diagram of lipid A from Salmonella Minnesota and Escherichia coli rough mutant lipopolysaccharide
-
Brandenburg, K., Koch, M. H. & Seydel, U. Phase diagram of lipid A from Salmonella minnesota and Escherichia coli rough mutant lipopolysaccharide. J Struct Biol 105, 11-21 (1990).
-
(1990)
J Struct Biol
, vol.105
, pp. 11-21
-
-
Brandenburg, K.1
Koch, M.H.2
Seydel, U.3
-
40
-
-
0030061787
-
Crystallization of synthetic Escherichia coli-type lipid A
-
Kato, N. et al. Crystallization of synthetic Escherichia coli-type lipid A. Microbiol Immunol 40, 33-38 (1996).
-
(1996)
Microbiol Immunol
, vol.40
, pp. 33-38
-
-
Kato, N.1
-
41
-
-
0034907678
-
Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa
-
Lins, R. D. & Straatsma, T. P. Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa. Biophys J 81, 1037-1046 (2001).
-
(2001)
Biophys J
, vol.81
, pp. 1037-1046
-
-
Lins, R.D.1
Straatsma, T.P.2
-
42
-
-
84889070118
-
Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes
-
Nascimento, A., Jr., Pontes, F. J., Lins, R. D. & Soares, T. A. Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes. Chem Commun (Camb) 50, 231-233 (2014).
-
(2014)
Chem Commun (Camb)
, vol.50
, pp. 231-233
-
-
Nascimento, A.1
Pontes, F.J.2
Lins, R.D.3
Soares, T.A.4
-
43
-
-
84884303247
-
Molecular dynamics and NMR spectroscopy studies of e coli lipopolysaccharide structure and dynamics
-
Wu, E. L. et al. Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics. Biophys J 105, 1444-1455 (2013).
-
(2013)
Biophys J
, vol.105
, pp. 1444-1455
-
-
Wu, E.L.1
-
44
-
-
0018888056
-
Lateral mobility in reconstituted membranes-comparisons with diffusion in polymers
-
Schindler, M., Osborn, M. J. & Koppel, D. E. Lateral mobility in reconstituted membranes-comparisons with diffusion in polymers. Nature 283, 346-350 (1980).
-
(1980)
Nature
, vol.283
, pp. 346-350
-
-
Schindler, M.1
Osborn, M.J.2
Koppel, D.E.3
-
45
-
-
84927522993
-
Exploring the local elastic properties of bilayer membranes using molecular dynamics simulations
-
Pieffet, G., Botero, A., Peters, G. H., Forero-Shelton, M. & Leidy, C. Exploring the local elastic properties of bilayer membranes using molecular dynamics simulations. J Phys Chem B 118, 12883-12891 (2014).
-
(2014)
J Phys Chem B
, vol.118
, pp. 12883-12891
-
-
Pieffet, G.1
Botero, A.2
Peters, G.H.3
Forero-Shelton, M.4
Leidy, C.5
-
46
-
-
84876826729
-
Inefficient TLR4/MD-2 heterotetramerization by monophosphoryl lipid A
-
Casella, C. R. & Mitchell, T. C. Inefficient TLR4/MD-2 heterotetramerization by monophosphoryl lipid A. PLoS One 8, e62622 (2013).
-
(2013)
PLoS One
, vol.8
, pp. e62622
-
-
Casella, C.R.1
Mitchell, T.C.2
-
47
-
-
34250854079
-
The vaccine adjuvant monophosphoryl lipid A as a TRIF-biased agonist of TLR4
-
Mata-Haro, V. et al. The vaccine adjuvant monophosphoryl lipid A as a TRIF-biased agonist of TLR4. Science 316, 1628-1632 (2007).
-
(2007)
Science
, vol.316
, pp. 1628-1632
-
-
Mata-Haro, V.1
-
48
-
-
77952540747
-
Conformation and supramolecular structure of lipid A
-
Brandenburg, K. & Seydel, U. Conformation and supramolecular structure of lipid A. Adv Exp Med Biol 667, 25-38 (2009).
-
(2009)
Adv Exp Med Biol
, vol.667
, pp. 25-38
-
-
Brandenburg, K.1
Seydel, U.2
-
49
-
-
84903716794
-
Structural biology: Lipopolysaccharide rolls out the barrel
-
in press
-
Bishop, R. E. Structural biology: Lipopolysaccharide rolls out the barrel. Nature in press (2014).
-
(2014)
Nature
-
-
Bishop, R.E.1
-
50
-
-
84903728454
-
Structural basis for outer membrane lipopolysaccharide insertion
-
in press
-
Dong, J. et al. Structural basis for outer membrane lipopolysaccharide insertion. Nature in press (2014).
-
(2014)
Nature
-
-
Dong, J.1
-
51
-
-
84903716134
-
Structural basis for lipopolysaccharide insertion in the bacterial outer membrane
-
in press
-
Quai, S., Luo, Q., Zhao, Y., C., Z. X. & Huang, Y. Structural basis for lipopolysaccharide insertion in the bacterial outer membrane. Nature in press (2014).
-
(2014)
Nature
-
-
Quai, S.1
Luo, Q.2
Zhao, Y.C.Z.X.3
Huang, Y.4
-
52
-
-
33847708375
-
Specific high affinity interactions of monomeric endotoxin.protein complexes with Toll-like receptor 4 ectodomain
-
Prohinar, P. et al. Specific high affinity interactions of monomeric endotoxin.protein complexes with Toll-like receptor 4 ectodomain. J Biol Chem 282, 1010-1017 (2007).
-
(2007)
J Biol Chem
, vol.282
, pp. 1010-1017
-
-
Prohinar, P.1
-
53
-
-
0141890200
-
Lipopolysaccharide interaction with cell surface Toll-like receptor 4-MD-2: Higher affinity than that with MD-2 or CD14
-
Akashi, S. et al. Lipopolysaccharide interaction with cell surface Toll-like receptor 4-MD-2: higher affinity than that with MD-2 or CD14. J Exp Med 198, 1035-1042 (2003).
-
(2003)
J Exp Med
, vol.198
, pp. 1035-1042
-
-
Akashi, S.1
-
54
-
-
0027301026
-
Effect of pH on solubility and ionic state of lipopolysaccharide obtained from the deep rough mutant of Escherichia coli
-
Din, Z. Z., Mukerjee, P., Kastowsky, M. & Takayama, K. Effect of pH on solubility and ionic state of lipopolysaccharide obtained from the deep rough mutant of Escherichia coli. Biochemistry 32, 4579-4586 (1993).
-
(1993)
Biochemistry
, vol.32
, pp. 4579-4586
-
-
Din, Z.Z.1
Mukerjee, P.2
Kastowsky, M.3
Takayama, K.4
-
55
-
-
47749153335
-
Aggregation behavior of an ultra-pure lipopolysaccharide that stimulates TLR-4 receptors
-
Sasaki, H. & White, S. H. Aggregation behavior of an ultra-pure lipopolysaccharide that stimulates TLR-4 receptors. Biophys J 95, 986-993 (2008).
-
(2008)
Biophys J
, vol.95
, pp. 986-993
-
-
Sasaki, H.1
White, S.H.2
-
56
-
-
0032754292
-
Chemical structure, molecular conformation, and bioactivity of endotoxins
-
Seydel, U., Schromm, A. B., Blunck, R. & Brandenburg, K. Chemical structure, molecular conformation, and bioactivity of endotoxins. Chem Immunol 74, 5-24 (2000).
-
(2000)
Chem Immunol
, vol.74
, pp. 5-24
-
-
Seydel, U.1
Schromm, A.B.2
Blunck, R.3
Brandenburg, K.4
-
57
-
-
33749182054
-
Lipids out of equilibrium: Energetics of desorption and pore mediated flip-flop
-
Tieleman, D. P. & Marrink, S. J. Lipids out of equilibrium: energetics of desorption and pore mediated flip-flop. J Am Chem Soc 128, 12462-12467 (2006).
-
(2006)
J Am Chem Soc
, vol.128
, pp. 12462-12467
-
-
Tieleman, D.P.1
Marrink, S.J.2
-
59
-
-
0036498687
-
Does the shape of lipid A determine the interaction of LPS with Toll-like receptors?
-
Netea, M. G., van Deuren, M., Kullberg, B. J., Cavaillon, J. M. & Van der Meer, J. W. Does the shape of lipid A determine the interaction of LPS with Toll-like receptors? Trends Immunol 23, 135-139 (2002).
-
(2002)
Trends Immunol
, vol.23
, pp. 135-139
-
-
Netea, M.G.1
Van Deuren, M.2
Kullberg, B.J.3
Cavaillon, J.M.4
Van Der Meer, J.W.5
-
60
-
-
46249092554
-
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 4, 435-447 (2008).
-
(2008)
J Chem Theory Comput
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
61
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A. D. et al. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins. J Phys Chem B 102, 3586-3616 (1998).
-
(1998)
J Phys Chem B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
-
62
-
-
77950106854
-
Implementation of the charmm force field in gromacs: Analysis of protein stability effects from correction maps, virtual interaction sites, and water models
-
Bjelkmar, P., Larsson, P., Cuendet, M. A., Hess, B. & Lindahl, E. Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models. J Chem Theory Comput 6, 459-466 (2010).
-
(2010)
J Chem Theory Comput
, vol.6
, pp. 459-466
-
-
Bjelkmar, P.1
Larsson, P.2
Cuendet, M.A.3
Hess, B.4
Lindahl, E.5
-
63
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
Bussi, G., Donadio, D. & Parrinello, M. Canonical sampling through velocity rescaling. J Chem Phys 126, 014101 (2007).
-
(2007)
J Chem Phys
, vol.126
, pp. 014101
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
64
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
Parrinello, M. & Rahman, A. Polymorphic transitions in single crystals: A new molecular dynamics method. J Appl Phys 52, 7182-7190 (1981).
-
(1981)
J Appl Phys
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
65
-
-
84926811618
-
Constant pressure molecular-dynamics for molecular-systems
-
Nose, S. & Klein, M. L. Constant Pressure Molecular-Dynamics for Molecular-Systems. Mol Phys 50, 1055-1076 (1983).
-
(1983)
Mol Phys
, vol.50
, pp. 1055-1076
-
-
Nose, S.1
Klein, M.L.2
-
66
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B., Bekker, H., Berendsen, H. J. C. & Fraaije, J. G. E. M. LINCS: A linear constraint solver for molecular simulations. J Comput Chem 18, 1463-1472 (1997).
-
(1997)
J Comput Chem
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
67
-
-
33645961739
-
A smooth particle mesh ewald method
-
Essmann, U. et al. A Smooth Particle Mesh Ewald Method. J Chem Phys 103, 8577-8593 (1995).
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
-
68
-
-
0029878720
-
VMD: Visual molecular dynamics
-
27-38
-
Humphrey, W., Dalke, A. & Schulten, K. VMD: visual molecular dynamics. J Mol Graph 14, 33-38, 27-38 (1996).
-
(1996)
J Mol Graph
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
69
-
-
84900549764
-
Efficient characterization of protein cavities within molecular simulation trajectories: Trjcavity
-
Paramo, T., East, A., Garzon, D., Ulmschneider, M. B. & Bond, P. J. Efficient characterization of protein cavities within molecular simulation trajectories: trjcavity. J Chem Theory Comput 10, 2151-2164 (2014).
-
(2014)
J Chem Theory Comput
, vol.10
, pp. 2151-2164
-
-
Paramo, T.1
East, A.2
Garzon, D.3
Ulmschneider, M.B.4
Bond, P.J.5
-
70
-
-
78651282170
-
Gwham-A free weighted histogram analysis implementation including robust error and autocorrelation estimates
-
Hub, J. S., De Groot, B. L. & van der Spoel, D. gwham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates. J Chem Theory Comput 6, 3713-3720 (2010).
-
(2010)
J Chem Theory Comput
, vol.6
, pp. 3713-3720
-
-
Hub, J.S.1
De Groot, B.L.2
Van Der Spoel, D.3
-
71
-
-
0026743174
-
Multiple protein sequence alignment from tertiary structure comparison: Assignment of global and residue confidence levels
-
Russell, R. B. & Barton, G. J. Multiple protein sequence alignment from tertiary structure comparison: assignment of global and residue confidence levels. Proteins 14, 309-323 (1992).
-
(1992)
Proteins
, vol.14
, pp. 309-323
-
-
Russell, R.B.1
Barton, G.J.2
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