-
1
-
-
0037371597
-
Mechanisms of antimicrobial peptide action and resistance
-
DOI 10.1124/pr.55.1.2
-
M.R. Yeaman, N.Y. Yount, Mechanisms of antimicrobial peptide action and resistance, Pharmacol. Rev. 55 (2003) 27-55. (Pubitemid 36268398)
-
(2003)
Pharmacological Reviews
, vol.55
, Issue.1
, pp. 27-55
-
-
Yeaman, M.R.1
Yount, N.Y.2
-
2
-
-
52249094601
-
Effect of lipid composition on buforin II structure and membrane entry
-
E. Fleming, N.P. Maharaj, J.L. Chen, R. Nelson, D.E. Elmore, Effect of lipid composition on buforin II structure and membrane entry, Proteins 73 (2008) 480-491.
-
(2008)
Proteins
, vol.73
, pp. 480-491
-
-
Fleming, E.1
Maharaj, N.P.2
Chen, J.L.3
Nelson, R.4
Elmore, D.E.5
-
3
-
-
33748783804
-
Antimicrobial peptides in action
-
DOI 10.1021/ja062927q
-
H. Leontiadou, A.E. Mark, S.J. Marrink, Antimicrobial peptides in action, J. Am. Chem. Soc. 128 (2006) 12156-12161. (Pubitemid 44413847)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.37
, pp. 12156-12161
-
-
Leontiadou, H.1
Mark, A.E.2
Marrink, S.J.3
-
4
-
-
67650566598
-
Broad-spectrum antimcrobial peptides by rational combinatorial design and high-throughput screening: The importance of interfacial activity
-
R. Rathinakumar, W. Walkenhorst, W.C. Wimley, Broad-spectrum antimcrobial peptides by rational combinatorial design and high-throughput screening: the importance of interfacial activity, J. Am. Chem. Soc. 131 (2009) 7609-7617.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 7609-7617
-
-
Rathinakumar, R.1
Walkenhorst, W.2
Wimley, W.C.3
-
5
-
-
65549094949
-
Alamethicin in lipid bilayers: Combined use of X-ray scattering and MD simulations
-
J. Pan, D.P. Tieleman, J.F. Nagle, N. Kucerka, S. Tristram-Nagle, Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations, Biochim. Biophys. Acta 1788 (2009) 1387-1397.
-
(2009)
Biochim. Biophys. Acta
, vol.1788
, pp. 1387-1397
-
-
Pan, J.1
Tieleman, D.P.2
Nagle, J.F.3
Kucerka, N.4
Tristram-Nagle, S.5
-
6
-
-
33749464383
-
Advances in antimicrobial peptide immunobiology
-
DOI 10.1002/bip.20543
-
N.Y. Yount, A.S. Bayer, Y.Q. Xiong, M.R. Yeaman, Advances in antimicrobial peptide immunobiology, Biopolymers 84 (2006) 435-458. (Pubitemid 44519206)
-
(2006)
Biopolymers - Peptide Science Section
, vol.84
, Issue.5
, pp. 435-458
-
-
Yount, N.Y.1
Bayer, A.S.2
Xiong, Y.Q.3
Yeaman, M.R.4
-
7
-
-
0030957823
-
Molecular basis for membrane phospholipid diversity: Why are there so many lipids?
-
DOI 10.1146/annurev.biochem.66.1.199
-
W. Dowhan, Molecular basis for membrane phospholipid diversity: why are there so many lipids? Annu. Rev. Biochem. 66 (1997) 199-232. (Pubitemid 27274656)
-
(1997)
Annual Review of Biochemistry
, vol.66
, pp. 199-232
-
-
Dowhan, W.1
-
8
-
-
0025876649
-
Static and dynamic lipid asymmetry in cell membranes
-
P.F. Devaux, Static and dynamic lipid asymmetry in cell membranes, Biochemistry 30 (1991) 1163-1173.
-
(1991)
Biochemistry
, vol.30
, pp. 1163-1173
-
-
Devaux, P.F.1
-
9
-
-
0030738014
-
Interactions of an antimicrobial peptide, magainin 2, with outer and inner membranes of Gram-negative bacteria
-
DOI 10.1016/S0005-2736(97)00051-5, PII S0005273697000515
-
K. Matsuzaki, K. Sugishita, M. Harada, N. Fujii, K. Miyajima, Interactions of an antimicrobial peptide, magainin 2, with outer and inner membranes of gram-negative bacteria, Biochim. Biophys. Acta 1327 (1997) 119-130. (Pubitemid 27283405)
-
(1997)
Biochimica et Biophysica Acta - Biomembranes
, vol.1327
, Issue.1
, pp. 119-130
-
-
Matsuzaki, K.1
Sugishita, K.-I.2
Harada, M.3
Fujii, N.4
Miyajima, K.5
-
10
-
-
49749095609
-
Effect of antimicrobial peptides from australian tree frogs on anionic phospholipid membranes
-
J.D. Gehman, F. Luc, K. Hall, T.H. Lee, M.P. Boland, T.L. Pukala, J.H. Bowie, M.I. Aguilar, F. Separovic, Effect of antimicrobial peptides from australian tree frogs on anionic phospholipid membranes, Biochemistry 47 (2008) 8557-8565.
-
(2008)
Biochemistry
, vol.47
, pp. 8557-8565
-
-
Gehman, J.D.1
Luc, F.2
Hall, K.3
Lee, T.H.4
Boland, M.P.5
Pukala, T.L.6
Bowie, J.H.7
Aguilar, M.I.8
Separovic, F.9
-
11
-
-
45749113323
-
Aggregation of cateslytin beta-sheets on negatively charged lipids promotes rigid membrane domains. A new mode of action for antimicrobial peptides?
-
DOI 10.1021/bi800448h
-
F. Jean-Francois, S. Castano, B. Desbat, B. Odaert, M. Roux, M.H. Metz-Boutigue, E.J. Dufourc, Aggregation of cateslytin beta-sheets on negatively charged lipids promotes rigid membrane domains. a new mode of action for antimicrobial peptides? Biochemistry 47 (2008) 6394-6402. (Pubitemid 351874231)
-
(2008)
Biochemistry
, vol.47
, Issue.24
, pp. 6394-6402
-
-
Jean-Francois, F.1
Castano, S.2
Desbat, B.3
Odaert, B.4
Roux, M.5
Metz-Boutigue, M.-H.6
Dufourc, E.J.7
-
12
-
-
70349944668
-
Binding free energy and counterion release for adsorption of the antimicrobial peptide lactoferricin B on POPG membrane
-
S. Tolokh, V. Vivcharuk, B. Tomberli, C.G. Gray, Binding free energy and counterion release for adsorption of the antimicrobial peptide lactoferricin B on POPG membrane, Phys. Rev. E 80 (2009) 31911-1-31911-12.
-
(2009)
Phys. Rev. E
, vol.80
, pp. 319111-3191112
-
-
Tolokh, S.1
Vivcharuk, V.2
Tomberli, B.3
Gray, C.G.4
-
13
-
-
41149175486
-
Prediction of binding free energy for adsorption of antimicrobial peptide lactoferricin B on a POPC membrane
-
V. Vivcharuk, B. Tomberli, I.S. Tolokh, C.G. Gray, Prediction of binding free energy for adsorption of antimicrobial peptide lactoferricin B on a POPC membrane, Phys. Rev. E 77 (2008) 31913-1-31913-11.
-
(2008)
Phys. Rev. E
, vol.77
, pp. 319131-3191311
-
-
Vivcharuk, V.1
Tomberli, B.2
Tolokh, I.S.3
Gray, C.G.4
-
14
-
-
70449647113
-
Membrane association and selectivity of the antimicrobial peptide NK-2: A molecular dynamics simulation study
-
J. Pimthon, R. Willumeit, A. Lendlein, D. Hofman, Membrane association and selectivity of the antimicrobial peptide NK-2: a molecular dynamics simulation study, J. Pept. Sci. 15 (2009) 654-667.
-
(2009)
J. Pept. Sci.
, vol.15
, pp. 654-667
-
-
Pimthon, J.1
Willumeit, R.2
Lendlein, A.3
Hofman, D.4
-
15
-
-
0038052326
-
Mechanism of lipid bilayer disruption by the human antimicrobial peptide, LL-37
-
DOI 10.1021/bi0273563
-
K.A. Henzler Wildmann, D. Lee, A. Ramamoorthy, Mechanism of lipid bilayer disruption by the human antimicrobial peptide, ll-37, Biochemistry 42 (2003) 6545-6558. (Pubitemid 36665830)
-
(2003)
Biochemistry
, vol.42
, Issue.21
, pp. 6545-6558
-
-
Henzler, W.K.A.1
Lee, D.-K.2
Ramamoorthy, A.3
-
16
-
-
18944367737
-
Structural rearrangement of model membranes by the peptide antibiotic NK-2
-
DOI 10.1016/j.bbamem.2005.01.011, PII S0005273605000271
-
R. Willumeit, M. Kumpugdee, S.S. Funari, K. Lohner, B.P. Navas, K. Brandenburg, S. Linser, J. Andrä, Structural rearrangement of model membranes by the peptide antibiotic NK-2, Biochim. Biophys. Acta, Biomembr. 1669 (2005) 125-134. (Pubitemid 40704730)
-
(2005)
Biochimica et Biophysica Acta - Biomembranes
, vol.1669
, Issue.2
, pp. 125-134
-
-
Willumeit, R.1
Kumpugdee, M.2
Funari, S.S.3
Lohner, K.4
Navas, B.P.5
Brandenburg, K.6
Linser, S.7
Andra, J.8
-
17
-
-
0037716304
-
Molecular basis for membrane selectivity of NK-2, a potent peptide antibiotic derived from NK-lysin
-
DOI 10.1016/S0005-2736(03)00115-9
-
H. Schröder-Borm, R. Willumeit, K. Brandenburg, J. Andrä, Molecular basis for membrane selectivity of NK-2, a potent peptide antibiotic derived from NK-lysin, Biochim. Biophys. Acta, Biomembr. 1612 (2003) 164-171. (Pubitemid 36629570)
-
(2003)
Biochimica et Biophysica Acta - Biomembranes
, vol.1612
, Issue.2
, pp. 164-171
-
-
Schroder-Borm, H.1
Willumeit, R.2
Brandenburg, K.3
Andra, J.4
-
18
-
-
0029061894
-
NK-lysin, a novel effector peptide of cytotoxic T-cells and NK-cells - Structure and cDNA cloning of the porcine form, induction by interleucin-2, antibacterial and antitumor-activity
-
M. Andersson, H. Gunne, B. Agerberth, A. Boman, T. Bergman, R. Sillard, H. Jornvall, V. Mutt, B. Olsson, H. Wigzell, A. Dagerlind, H. Boman, G. Gudmundsson, NK-lysin, a novel effector peptide of cytotoxic T-cells and NK-cells - structure and cDNA cloning of the porcine form, induction by interleucin-2, antibacterial and antitumor-activity, EMBO J. 14 (1995) 1615-1625.
-
(1995)
EMBO J.
, vol.14
, pp. 1615-1625
-
-
Andersson, M.1
Gunne, H.2
Agerberth, B.3
Boman, A.4
Bergman, T.5
Sillard, R.6
Jornvall, H.7
Mutt, V.8
Olsson, B.9
Wigzell, H.10
Dagerlind, A.11
Boman, H.12
Gudmundsson, G.13
-
19
-
-
0033369108
-
Candidacidal activity of shortened synthetic analogs of amoebapores and NK-lysin
-
DOI 10.1007/s004300050113
-
J. Andrä, M. Leippe, Candidacidal activity of shortened synthetic analogs of amoebapores and NK-lysin, Med. Microbiol. Immunol. 188 (1999) 117-124. (Pubitemid 30085357)
-
(1999)
Medical Microbiology and Immunology
, vol.188
, Issue.3
, pp. 117-124
-
-
Andra, J.1
Leippe, M.2
-
20
-
-
0033405041
-
Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7
-
DOI 10.1073/pnas.96.25.14330
-
L. Chong, Y. Duan, L. Wang, I. Massova, P. Kollman, Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7, Proc. Natl. Acad. Sci. U. S. A. 96 (1999) 14330-14335. (Pubitemid 30000650)
-
(1999)
Proceedings of the National Academy of Sciences of the United States of America
, vol.96
, Issue.25
, pp. 14330-14335
-
-
Chong, L.T.1
Duan, Y.2
Wang, L.3
Massova, I.4
Kollman, P.A.5
-
21
-
-
84961980685
-
Binding of a diverse set of ligands to avidin and streptavidin: An accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models
-
B. Kuhn, P. Kollman, Binding of a diverse set of ligands to avidin and streptavidin: An accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models, J. Med. Chem. 43 (2000) 3786-3791.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3786-3791
-
-
Kuhn, B.1
Kollman, P.2
-
22
-
-
0035668653
-
Energetic analysis of binding of progesterone and 5 beta-androstane-3,17- dione to anti-progesterone antibody DB3 using molecular dynamics and free energy calculations
-
M. Peräkylä, N. Nordman, Energetic analysis of binding of progesterone and 5 beta-androstane-3,17-dione to anti-progesterone antibody DB3 using molecular dynamics and free energy calculations, Prot. Eng. 14 (2001) 753-758. (Pubitemid 34024656)
-
(2001)
Protein Engineering
, vol.14
, Issue.10
, pp. 753-758
-
-
Perakyla, M.1
Nordman, N.2
-
23
-
-
42949162627
-
Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface, and intrapeptide forces
-
DOI 10.1073/pnas.0707879105
-
D. Horinek, A. Serr, M. Geisler, T. Pirzer, U. Slotta, S.Q. Lud, L.A. Garrido, T. Scheibel, T. Hugel, R.R. Netz, Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface, and intrapeptide forces, Proc. Natl. Acad. Sci. U. S. A. 105 (2008) 2842-2847. (Pubitemid 351723631)
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.8
, pp. 2842-2847
-
-
Horinek, D.1
Serr, A.2
Geisler, M.3
Pirzer, T.4
Slotta, U.5
Lud, S.Q.6
Garrido, J.A.7
Scheibel, T.8
Hugel, T.9
Netz, R.R.10
-
24
-
-
77957292370
-
Model amyloid Peptide B18 monomer and dimer studied by replica exchange molecular dynamics simulations
-
V. Knecht, Model amyloid Peptide B18 monomer and dimer studied by replica exchange molecular dynamics simulations, J. Phys. Chem. B 114 (2010) 12701-12707.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 12701-12707
-
-
Knecht, V.1
-
25
-
-
78649570071
-
Disordered versus fibril-like amyloid beta (25-35) dimers in water: Structure and thermodynamics
-
M. Kittner, V. Knecht, Disordered versus fibril-like amyloid beta (25-35) dimers in water: structure and thermodynamics, J. Phys. Chem. B 114 (2010) 15288-15295.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 15288-15295
-
-
Kittner, M.1
Knecht, V.2
-
26
-
-
79958833423
-
Importance of polar solvation for cross-reactivity of antibody and its variants with steroids
-
P. Kar, R. Lipowsky, V. Knecht, Importance of polar solvation for cross-reactivity of antibody and its variants with steroids, J. Phys. Chem. B 115 (2011) 7661-7669.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 7661-7669
-
-
Kar, P.1
Lipowsky, R.2
Knecht, V.3
-
27
-
-
84861672533
-
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir
-
P. Kar, V. Knecht, Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir, J. Comput. Aided Mol. Des. 26 (2012) 215-232.
-
(2012)
J. Comput. Aided Mol. Des.
, vol.26
, pp. 215-232
-
-
Kar, P.1
Knecht, V.2
-
28
-
-
84857767948
-
Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease
-
P. Kar, V. Knecht, Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease, J. Phys. Chem. B 116 (2012) 2605-2614.
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 2605-2614
-
-
Kar, P.1
Knecht, V.2
-
29
-
-
80052835357
-
Competing interactions for antimicrobial selectivity based on charge complementarity
-
C. von Deuster, V. Knecht, Competing interactions for antimicrobial selectivity based on charge complementarity, Biochim. Biophys. Acta, Biomembr. 1808 (12) (2011) 2867-2876.
-
(2011)
Biochim. Biophys. Acta, Biomembr.
, vol.1808
, Issue.12
, pp. 2867-2876
-
-
Von Deuster, C.1
Knecht, V.2
-
30
-
-
0037622075
-
Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
-
DOI 10.1002/bip.10375
-
I. Liepina, C. Czaplewski, P. Janmey, A. Liwo, Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate, Biopolymers 71 (2003) 49-70. (Pubitemid 36548117)
-
(2003)
Biopolymers - Peptide Science Section
, vol.71
, Issue.1
, pp. 49-70
-
-
Liepina, I.1
Czaplewski, C.2
Janmey, P.3
Liwo, A.4
-
31
-
-
64349113647
-
Interaction of monotopic membrane enzymes with a lipid bilayer: A coarse-grained md simulation study
-
K. Balali-Mood, P.J. Bond, M.S.P. Sansom, Interaction of monotopic membrane enzymes with a lipid bilayer: A coarse-grained md simulation study, Biochemistry 48 (2009) 2135-2145.
-
(2009)
Biochemistry
, vol.48
, pp. 2135-2145
-
-
Balali-Mood, K.1
Bond, P.J.2
Sansom, M.S.P.3
-
32
-
-
50349095199
-
The interaction of phospholipase a2 with a phospholipid bilayer: Coarse-grained molecular dynamics simulations
-
C.L. Wee, K. Balali-Mood, D. Gavaghan, M. Sansom, The interaction of phospholipase a2 with a phospholipid bilayer: Coarse-grained molecular dynamics simulations, Biophys. J. 95 (2008) 1649-1657.
-
(2008)
Biophys. J.
, vol.95
, pp. 1649-1657
-
-
Wee, C.L.1
Balali-Mood, K.2
Gavaghan, D.3
Sansom, M.4
-
33
-
-
70349944668
-
Binding free energy and counterion release for adsorption of the antimicrobial peptide lactoferricin b on a popg membrane
-
031911
-
I.S. Tolokh, V. Vivcharuk, B. Tomberli, C.G. Gray, Binding free energy and counterion release for adsorption of the antimicrobial peptide lactoferricin b on a popg membrane, Phys Rev. E 80 (031911) (2009) 031911.
-
(2009)
Phys Rev. E
, vol.80
, pp. 031911
-
-
Tolokh, I.S.1
Vivcharuk, V.2
Tomberli, B.3
Gray, C.G.4
-
34
-
-
73149118069
-
Relative free energy of binding between antimicrobial peptides and SDS or DPC micelles
-
A. Sayyed-Ahmad, H. Khandelia, Y.N. Kaznessis, Relative free energy of binding between antimicrobial peptides and SDS or DPC micelles, Mol. Simul. 35 (2009) 986-997.
-
(2009)
Mol. Simul.
, vol.35
, pp. 986-997
-
-
Sayyed-Ahmad, A.1
Khandelia, H.2
Kaznessis, Y.N.3
-
35
-
-
0032560959
-
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate-DNA helices
-
DOI 10.1021/ja981844+
-
J. Srinivasan, T. Cheatham, P. Cieplak, P. Kollman, D. Case, Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate - DNA helices, J. Am. Chem. Soc. 120 (1998) 9401-9409. (Pubitemid 28452628)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.37
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham III, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
36
-
-
77950279200
-
Interaction of an antimicrobial peptide with membranes: Experiments and simulations with NKCS
-
Y. Gofman, S. Linser, A. Rzeszutek, D. Shental-Bechor, S. Funari, N. Ben-Tal, R. Willumeit, Interaction of an antimicrobial peptide with membranes: Experiments and simulations with NKCS, J. Phys. Chem. B 114 (2010) 4230-4237.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 4230-4237
-
-
Gofman, Y.1
Linser, S.2
Rzeszutek, A.3
Shental-Bechor, D.4
Funari, S.5
Ben-Tal, N.6
Willumeit, R.7
-
37
-
-
0036286654
-
Free energy simulations come of age: Protein-ligand recognition
-
T. Simonson, G. Archontis, M. Karplus, Free energy simulations come of age: Protein-ligand recognition, Acc. Chem. Res. 35 (2002) 430-437.
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 430-437
-
-
Simonson, T.1
Archontis, G.2
Karplus, M.3
-
38
-
-
34547474332
-
The MARTINI force field: Coarse grained model for biomolecular simulations
-
DOI 10.1021/jp071097f
-
S.J. Marrink, H.J. Risselada, S. Yefimov, A.H. de Vries, The MARTINI force field: coarse grained model for biomolecular simulations, J. Phys. Chem. B 111 (2007) 7812-7824. (Pubitemid 47169693)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.27
, pp. 7812-7824
-
-
Marrink, S.J.1
Risselada, H.J.2
Yefimov, S.3
Tieleman, D.P.4
De Vries, A.H.5
-
39
-
-
49449113010
-
The MARTINI coarse-grained force field: Extension to proteins
-
L. Monticelli, S. Kandasamy, X. Periole, R.G. Larson, D.P. Tieleman, S.J. Marrink, The MARTINI coarse-grained force field: extension to proteins, J. Chem. Theory Comput. 4 (2008) 819-834.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 819-834
-
-
Monticelli, L.1
Kandasamy, S.2
Periole, X.3
Larson, R.G.4
Tieleman, D.P.5
Marrink, S.J.6
-
40
-
-
72149121112
-
Location, Tilt, and Binding: A Molecular Dynamics Study of Voltage-Sensitive Dyes in Biomembranes
-
M.J. Hinner, S.-J. Marrink, A.H. de Vries, Location, Tilt, and Binding: A Molecular Dynamics Study of Voltage-Sensitive Dyes in Biomembranes, J. Phys. Chem. B 113 (48) (2009) 15807-15819, http://dx.doi.org/10.1021/jp907981y.
-
(2009)
J. Phys. Chem. B
, vol.113
, Issue.48
, pp. 15807-15819
-
-
Hinner, M.J.1
Marrink, S.-J.2
De Vries, A.H.3
-
41
-
-
79960209915
-
Using the Wimley-White hydrophobicity scale as a direct quantitative test of force fields: The MARTINI coarse-grained model
-
G. Singh, D.P. Tieleman, Using the Wimley-White hydrophobicity scale as a direct quantitative test of force fields: the MARTINI coarse-grained model, J. Chem. Theory Comput. 7 (7) (2011) 2316-2324, http://dx.doi.org/10.1021/ ct2002623.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, Issue.7
, pp. 2316-2324
-
-
Singh, G.1
Tieleman, D.P.2
-
43
-
-
0000388705
-
LINCS: A Linear Constraint Solver for molecular simulations
-
B. Hess, H. Bekker, H.J.C. Berendsen, J.G.E.M. Fraaije, LINCS: a linear constraint solver for molecular simulations, J. Comput. Chem. 18 (1997) 1463-1472. (Pubitemid 127637344)
-
(1997)
Journal of Computational Chemistry
, vol.18
, Issue.12
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
44
-
-
33750587438
-
Molecular- Dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. Di Nola, J.R. Haak, Molecular- dynamics with coupling to an external bath, J. Chem. Phys. 81 (1984) 3684-3690.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Di Nola, A.4
Haak, J.R.5
-
45
-
-
27344454932
-
GROMACS: Fast, flexible, and free
-
DOI 10.1002/jcc.20291
-
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A.E. Mark, H.J.C. Berendsen, GROMACS: Fast, flexible, and free, J. Comput. Chem. 26 (2005) 1701-1718. (Pubitemid 43076182)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.16
, pp. 1701-1718
-
-
Van Der, S.D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.C.6
-
46
-
-
84870726202
-
-
2nd edition Academic Press, 525 B Street, Suite 1900, San Diego, California 9210-4495, USA
-
D. Frenkel, B. Smit, Understandingmolecular simulation - from algorithms to applications, 2nd edition Academic Press, 525 B Street, Suite 1900, San Diego, California 9210-4495, USA, 2002.
-
(2002)
Understandingmolecular Simulation - From Algorithms to Applications
-
-
Frenkel, D.1
Smit, B.2
-
47
-
-
34250315776
-
Molecular characterization of gel and liquid-crystalline structures of fully hydrated POPC and POPE bilayers
-
DOI 10.1021/jp0686339
-
S. Leemkujorn, A.K. Sum, Molecular characterization of gel and liquid-crystalline structures of fully hydrated POPC and POPE bilayers, J. Phys. Chem. B 111 (2007) 6026-6033. (Pubitemid 46918233)
-
(2007)
Journal of Physical Chemistry B
, vol.111
, Issue.21
, pp. 6026-6033
-
-
Leekumjorn, S.1
Sum, A.K.2
-
48
-
-
33646446451
-
Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chains
-
N. Kucerka, S. Tristram-Nagle, J.F. Nagle, Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chains, J. Membr. Biol. 208 (2005) 193-202.
-
(2005)
J. Membr. Biol.
, vol.208
, pp. 193-202
-
-
Kucerka, N.1
Tristram-Nagle, S.2
Nagle, J.F.3
-
49
-
-
0024378918
-
Hydration forces between phospholipid bilayers
-
R.P. Rand, V.A. Parsegian, Hydration forces between phospholipid bilayers, Biochim. Biophys. Acta 988 (1989) 351-376.
-
(1989)
Biochim. Biophys. Acta
, vol.988
, pp. 351-376
-
-
Rand, R.P.1
Parsegian, V.A.2
-
50
-
-
0027251833
-
Area lipid of bilayers from NMR
-
J.F. Nagle, Area lipid of bilayers from NMR, Biophys. J. 64 (1993) 1476-1481.
-
(1993)
Biophys. J.
, vol.64
, pp. 1476-1481
-
-
Nagle, J.F.1
-
51
-
-
30744448428
-
Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles
-
DOI 10.1021/ja0535099
-
J. MacCallum, D. Tieleman, Computer simulation of the distribution of hexane in a lipid bilayer: Spatially resolved free energy, entropy, and enthalpy profiles, J. Am. Chem. Soc. 128 (1) (2006) 125-130. (Pubitemid 43100863)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.1
, pp. 125-130
-
-
MacCallum, J.L.1
Tieleman, D.P.2
-
52
-
-
77749337739
-
Thermodynamic and hydrogen-bonding analyses of the interaction betweenmodel lipid bilayers
-
C. Eun, M.L. Berkowitz, Thermodynamic and hydrogen-bonding analyses of the interaction betweenmodel lipid bilayers, J. Phys. Chem. B 114 (8) (2010) 3013-3019.
-
(2010)
J. Phys. Chem. B
, vol.114
, Issue.8
, pp. 3013-3019
-
-
Eun, C.1
Berkowitz, M.L.2
-
53
-
-
0003955123
-
-
2nd Edition Wiley-VCH, New York
-
D.F. Evans, H. Wennerström, The colloidal domain: where physics, chemistry, biology, and technology meet, 2nd Edition Wiley-VCH, New York, 1999.
-
(1999)
The Colloidal Domain: Where Physics, Chemistry, Biology, and Technology Meet
-
-
Evans, D.F.1
Wennerström, H.2
-
54
-
-
0033932839
-
Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations
-
E. Lindahl, O. Edholm, Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations, Biophys. J. 79 (1) (2000) 426-433. (Pubitemid 30436758)
-
(2000)
Biophysical Journal
, vol.79
, Issue.1
, pp. 426-433
-
-
Lindahl, E.1
Edholm, O.2
-
55
-
-
33744544028
-
Binding of calcium to phosphatidylcholinephosphatidylserine membranes
-
C.G. Sinn, M. Antonietti, R. Dimova, Binding of calcium to phosphatidylcholinephosphatidylserine membranes, Colloids Surf. A Physicochem. Eng. Asp. 282 (2006) 410-419, http://dx.doi.org/10.1016/j.colsurfa.2005.10.014.
-
(2006)
Colloids Surf. A Physicochem. Eng. Asp.
, vol.282
, pp. 410-419
-
-
Sinn, C.G.1
Antonietti, M.2
Dimova, R.3
-
56
-
-
77957758822
-
Electrophoresis of neutral oil in water
-
V. Knecht, Z. Levine, P. Vernier, Electrophoresis of neutral oil in water, J. Colloid Interface Sci. 352 (2010) 223-231, http://dx.doi.org/10.1016/ j.jcis.2010.07.002.
-
(2010)
J. Colloid Interface Sci.
, vol.352
, pp. 223-231
-
-
Knecht, V.1
Levine, Z.2
Vernier, P.3
|