-
1
-
-
0020444488
-
Role of porin proteins OmpF and OmpC in the permeation of β-lactams
-
A. Jaffe, Y.A. Chabbert, and O. Semonin Role of porin proteins OmpF and OmpC in the permeation of β-lactams Antimicrob. Agents Chemother. 22 1982 942 948
-
(1982)
Antimicrob. Agents Chemother.
, vol.22
, pp. 942-948
-
-
Jaffe, A.1
Chabbert, Y.A.2
Semonin, O.3
-
2
-
-
77949399487
-
Permeation of antibiotics through Escherichia coli OmpF and OmpC porins: Screening for influx on a single-molecule level
-
K.R. Mahendran, and M. Kreir M. Winterhalter Permeation of antibiotics through Escherichia coli OmpF and OmpC porins: screening for influx on a single-molecule level J. Biomol. Screen. 15 2010 302 307
-
(2010)
J. Biomol. Screen.
, vol.15
, pp. 302-307
-
-
Mahendran, K.R.1
Kreir, M.2
Winterhalter, M.3
-
3
-
-
0347479229
-
Molecular basis of bacterial outer membrane permeability revisited
-
H. Nikaido Molecular basis of bacterial outer membrane permeability revisited Microbiol. Mol. Biol. Rev. 67 2003 593 656
-
(2003)
Microbiol. Mol. Biol. Rev.
, vol.67
, pp. 593-656
-
-
Nikaido, H.1
-
4
-
-
33846113922
-
An arginine ladder in OprP mediates phosphate-specific transfer across the outer membrane
-
T.F. Moraes, and M. Bains N.C.J. Strynadka An arginine ladder in OprP mediates phosphate-specific transfer across the outer membrane Nat. Struct. Mol. Biol. 14 2007 85 87
-
(2007)
Nat. Struct. Mol. Biol.
, vol.14
, pp. 85-87
-
-
Moraes, T.F.1
Bains, M.2
Strynadka, N.C.J.3
-
6
-
-
0020597554
-
Porin channels in Escherichia coli: Studies with liposomes reconstituted from purified proteins
-
H. Nikaido, and E.Y. Rosenberg Porin channels in Escherichia coli: studies with liposomes reconstituted from purified proteins J. Bacteriol. 153 1983 241 252
-
(1983)
J. Bacteriol.
, vol.153
, pp. 241-252
-
-
Nikaido, H.1
Rosenberg, E.Y.2
-
7
-
-
84863012509
-
Substrate specificity within a family of outer membrane carboxylate channels
-
E. Eren, and J. Vijayaraghavan B. van den Berg Substrate specificity within a family of outer membrane carboxylate channels PLoS Biol. 10 2012 e1001242
-
(2012)
PLoS Biol.
, vol.10
, pp. 1001242
-
-
Eren, E.1
Vijayaraghavan, J.2
Van Den Berg, B.3
-
8
-
-
46049091548
-
Crystal structure of the outer membrane protein OpdK from Pseudomonas aeruginosa
-
S. Biswas, and M.M. Mohammad B. van den Berg Crystal structure of the outer membrane protein OpdK from Pseudomonas aeruginosa Structure 16 2008 1027 1035
-
(2008)
Structure
, vol.16
, pp. 1027-1035
-
-
Biswas, S.1
Mohammad, M.M.2
Van Den Berg, B.3
-
9
-
-
77954911184
-
Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF
-
A. Kumar, and E. Hajjar M. Ceccarelli Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF J. Phys. Chem. B 114 2010 9608 9616
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 9608-9616
-
-
Kumar, A.1
Hajjar, E.2
Ceccarelli, M.3
-
10
-
-
35848953438
-
A multidomain outer membrane protein from Pasteurella multocida: Modelling and simulation studies of PmOmpA
-
T. Carpenter, S. Khalid, and M.S.P. Sansom A multidomain outer membrane protein from Pasteurella multocida: modelling and simulation studies of PmOmpA Biochim. Biophys. Acta 1768 2007 2831 2840
-
(2007)
Biochim. Biophys. Acta
, vol.1768
, pp. 2831-2840
-
-
Carpenter, T.1
Khalid, S.2
Sansom, M.S.P.3
-
11
-
-
50049128120
-
OmpA: Gating and dynamics via molecular dynamics simulations
-
S. Khalid, and P.J. Bond M.S.P. Sansom OmpA: gating and dynamics via molecular dynamics simulations Biochim. Biophys. Acta 1778 2008 1871 1880
-
(2008)
Biochim. Biophys. Acta
, vol.1778
, pp. 1871-1880
-
-
Khalid, S.1
Bond, P.J.2
Sansom, M.S.P.3
-
12
-
-
76049107193
-
Simulations of anion transport through OprP reveal the molecular basis for high affinity and selectivity for phosphate
-
P. Pongprayoon, and O. Beckstein M.S.P. Sansom Simulations of anion transport through OprP reveal the molecular basis for high affinity and selectivity for phosphate Proc. Natl. Acad. Sci. USA 106 2009 21614 21618
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 21614-21618
-
-
Pongprayoon, P.1
Beckstein, O.2
Sansom, M.S.P.3
-
14
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
B. Hess, and C. Kutzner E. Lindahl GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 4 2008 435 447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Lindahl, E.3
-
15
-
-
27344454932
-
GROMACS: Fast, flexible, and free
-
D. Van Der Spoel, and E. Lindahl H.J.C. Berendsen GROMACS: fast, flexible, and free J. Comput. Chem. 26 2005 1701 1718
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1701-1718
-
-
Van Der Spoel, D.1
Lindahl, E.2
Berendsen, H.J.C.3
-
16
-
-
65249151900
-
Lipid models for united-atom molecular dynamics simulations of proteins
-
A. Kukol Lipid models for united-atom molecular dynamics simulations of proteins J. Chem. Theory Comput. 5 2009 615 626
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 615-626
-
-
Kukol, A.1
-
17
-
-
79959713919
-
Definition and testing of the GROMOS force-field versions 54A7 and 54B7
-
N. Schmid, and A.P. Eichenberger W.F. van Gunsteren Definition and testing of the GROMOS force-field versions 54A7 and 54B7 Eur. Biophys. J. 40 2011 843 856
-
(2011)
Eur. Biophys. J.
, vol.40
, pp. 843-856
-
-
Schmid, N.1
Eichenberger, A.P.2
Van Gunsteren, W.F.3
-
18
-
-
0002775934
-
Interaction models for water in relation to protein hydration
-
B. Pullman, Reidel Publishing Boston
-
H. Berendsen, and J. Postma J. Hermans Interaction models for water in relation to protein hydration B. Pullman, Intermolecular Forces 1981 Reidel Publishing Boston 331 342
-
(1981)
Intermolecular Forces
, pp. 331-342
-
-
Berendsen, H.1
Postma, J.2
Hermans, J.3
-
19
-
-
77954256616
-
G-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
-
M.G. Wolf, and M. Hoefling G. Groenhof g-membed: efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation J. Comput. Chem. 31 2010 2169 2174
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 2169-2174
-
-
Wolf, M.G.1
Hoefling, M.2
Groenhof, G.3
-
20
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
W.G. Hoover Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 1985 1695 1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
21
-
-
34547809547
-
A unified formulation of the constant temperature molecular-dynamics methods
-
S. Nose A unified formulation of the constant temperature molecular-dynamics methods J. Chem. Phys. 81 1984 511 519
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 511-519
-
-
Nose, S.1
-
22
-
-
84926811618
-
Constant pressure molecular-dynamics for molecular-systems
-
S. Nose, and M.L. Klein Constant pressure molecular-dynamics for molecular-systems Mol. Phys. 50 1983 1055 1076
-
(1983)
Mol. Phys.
, vol.50
, pp. 1055-1076
-
-
Nose, S.1
Klein, M.L.2
-
23
-
-
0019707626
-
Polymorphic transitions in single-crystals - A new molecular-dynamics method
-
M. Parrinello, and A. Rahman Polymorphic transitions in single-crystals - a new molecular-dynamics method J. Appl. Phys. 52 1981 7182 7190
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
25
-
-
38749123962
-
P-LINCS: A parallel linear constraint solver for molecular simulation
-
B. Hess P-LINCS: A parallel linear constraint solver for molecular simulation J. Chem. Theory Comput. 4 2008 116 122
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 116-122
-
-
Hess, B.1
-
26
-
-
84870295542
-
Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment
-
D.A. Holdbrook, and T.J. Piggot S. Khalid Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment Biochim. Biophys. Acta 1828 2013 715 723
-
(2013)
Biochim. Biophys. Acta
, vol.1828
, pp. 715-723
-
-
Holdbrook, D.A.1
Piggot, T.J.2
Khalid, S.3
-
27
-
-
84876924253
-
Toward understanding the outer membrane uptake of small molecules by Pseudomonas aeruginosa
-
E. Eren, and J. Parkin B. van den Berg Toward understanding the outer membrane uptake of small molecules by Pseudomonas aeruginosa J. Biol. Chem. 288 2013 12042 12053
-
(2013)
J. Biol. Chem.
, vol.288
, pp. 12042-12053
-
-
Eren, E.1
Parkin, J.2
Van Den Berg, B.3
-
28
-
-
65549083717
-
GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics
-
W.J. Allen, J.A. Lemkul, and D.R. Bevan GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics J. Comput. Chem. 30 2009 1952 1958
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1952-1958
-
-
Allen, W.J.1
Lemkul, J.A.2
Bevan, D.R.3
-
30
-
-
10044263773
-
OmpT: Molecular dynamics simulations of an outer membrane enzyme
-
M. Baaden, and M.S.P. Sansom OmpT: molecular dynamics simulations of an outer membrane enzyme Biophys. J. 87 2005 2942 2953
-
(2005)
Biophys. J.
, vol.87
, pp. 2942-2953
-
-
Baaden, M.1
Sansom, M.S.P.2
-
31
-
-
0035996998
-
OmpA: A pore or not a pore? Simulation and modeling studies
-
P.J. Bond, J.D. Faraldo-Gómez, and M.S. Sansom OmpA: a pore or not a pore? Simulation and modeling studies Biophys. J. 83 2002 763 775
-
(2002)
Biophys. J.
, vol.83
, pp. 763-775
-
-
Bond, P.J.1
Faraldo-Gómez, J.D.2
Sansom, M.S.3
-
32
-
-
3142723209
-
Determination of bilayer thickness and lipid surface area in unilamellar dimyristoylphosphatidylcholine vesicles from small-angle neutron scattering curves: A comparison of evaluation methods
-
N. Kucerka, M.A. Kiselev, and P. Balgavý Determination of bilayer thickness and lipid surface area in unilamellar dimyristoylphosphatidylcholine vesicles from small-angle neutron scattering curves: a comparison of evaluation methods Eur. Biophys. J. 33 2004 328 334
-
(2004)
Eur. Biophys. J.
, vol.33
, pp. 328-334
-
-
Kucerka, N.1
Kiselev, M.A.2
Balgavý, P.3
-
33
-
-
84869067020
-
Molecular dynamics simulations of phosphatidylcholine membranes: A comparative force field study
-
T.J. Piggot, A. Pineiro, and S. Khalid Molecular dynamics simulations of phosphatidylcholine membranes: a comparative force field study J. Chem. Theory Comput. 8 2012 4593 4609
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4593-4609
-
-
Piggot, T.J.1
Pineiro, A.2
Khalid, S.3
-
34
-
-
33645038628
-
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa
-
S. Khalid, and P.J. Bond M.S.P. Sansom Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa Proteins 63 2006 6 15
-
(2006)
Proteins
, vol.63
, pp. 6-15
-
-
Khalid, S.1
Bond, P.J.2
Sansom, M.S.P.3
-
35
-
-
80855139866
-
Electroporation of the E. Coli and S. Aureus membranes: Molecular dynamics simulations of complex bacterial membranes
-
T.J. Piggot, D.A. Holdbrook, and S. Khalid Electroporation of the E. coli and S. Aureus membranes: molecular dynamics simulations of complex bacterial membranes J. Phys. Chem. B 115 2011 13381 13388
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 13381-13388
-
-
Piggot, T.J.1
Holdbrook, D.A.2
Khalid, S.3
-
36
-
-
84901981469
-
E. Coli outer membrane and interactions with OmpLA
-
E.L. Wu, and P.J. Fleming W. Im E. coli outer membrane and interactions with OmpLA Biophys. J. 106 2014 2493 2502
-
(2014)
Biophys. J.
, vol.106
, pp. 2493-2502
-
-
Wu, E.L.1
Fleming, P.J.2
Im, W.3
-
37
-
-
84889070118
-
Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes
-
A. Nascimento Jr., and F.J.S. Pontes T.A. Soares Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes Chem. Commun. (Camb.) 50 2014 231 233
-
(2014)
Chem. Commun. (Camb.)
, vol.50
, pp. 231-233
-
-
Nascimento, A.1
Pontes, F.J.S.2
Soares, T.A.3
|