-
1
-
-
34948819200
-
Imaging of amyloid burden and distribution in cerebral amyloid angiopathy
-
DOI 10.1002/ana.21164
-
S. M. Greenberg, K. A. Johnson, M. Gregas, J. A. Becker, C. Kinnecom, D. H. Salat, E. K. Moran, E. E. Smith, J. Rosand, D. M. Rentz, W. E. Klunk, C. A. Mathis, J. C. Price, S. T. DeKosky, and A. J. Fischman, Ann. Neurol. 62 (3), 229 (2007). 10.1002/ana.21164 (Pubitemid 47525398)
-
(2007)
Annals of Neurology
, vol.62
, Issue.3
, pp. 229-234
-
-
Johnson, K.A.1
Gregas, M.2
Becker, J.A.3
Kinnecom, C.4
Salat, D.H.5
Moran, E.K.6
Smith, E.E.7
Rosand, J.8
Rentz, D.M.9
Klunk, W.E.10
Mathis, C.A.11
Price, J.C.12
DeKosky, S.T.13
Fischman, A.J.14
Greenberg, S.M.15
-
2
-
-
0025369198
-
-
10.1126/science.1971458
-
C. Vanbroeckhoven, J. Haan, E. Bakker, J. A. Hardy, W. Vanhul, A. Wehnert, M. Vegtervandervlis, and R. A. C. Roos, Science 248 (4959), 1120 (1990). 10.1126/science.1971458
-
(1990)
Science
, vol.248
, Issue.4959
, pp. 1120
-
-
Vanbroeckhoven, C.1
Haan, J.2
Bakker, E.3
Hardy, J.A.4
Vanhul, W.5
Wehnert, A.6
Vegtervandervlis, M.7
Roos, R.A.C.8
-
3
-
-
0035997249
-
Senile plaque composition and posttranslational modification of amyloid-β peptide and associated proteins
-
DOI 10.1016/S0196-9781(02)00070-0, PII S0196978102000700
-
C. S. Atwood, R. N. Martins, M. A. Smith, and G. Perry, Peptides 23 (7), 1343 (2002). 10.1016/S0196-9781(02)00070-0 (Pubitemid 34786713)
-
(2002)
Peptides
, vol.23
, Issue.7
, pp. 1343-1350
-
-
Atwood, C.S.1
Martins, R.N.2
Smith, M.A.3
Perry, G.4
-
4
-
-
0037135111
-
The amyloid hypothesis of Alzheimer's disease: Progress and problems on the road to therapeutics
-
DOI 10.1126/science.1072994
-
D. J. Selkoe and J. Hardy, Science 297 (5580), 353 (2002). 10.1126/science.1072994 (Pubitemid 34790756)
-
(2002)
Science
, vol.297
, Issue.5580
, pp. 353-356
-
-
Hardy, J.1
Selkoe, D.J.2
-
5
-
-
0035433962
-
Alzheimer's disease and Aβ toxicity: From top to bottom
-
DOI 10.1038/35086072
-
D. H. Small, S. S. Mok, and J. C. Bornstein, Nat. Rev. Neurosci. 2 (8), 595 (2001). 10.1038/35086072 (Pubitemid 33679833)
-
(2001)
Nature Reviews Neuroscience
, vol.2
, Issue.8
, pp. 595-598
-
-
Small, D.H.1
Mok, S.S.2
Bornstein, J.C.3
-
6
-
-
0028915895
-
-
10.1074/jbc.270.13.7013
-
S. A. Gravina, L. B. Ho, C. B. Eckman, K. E. Long, L. Otvos, L. H. Younkin, N. Suzuki, and S. G. Younkin, J. Biol. Chem. 270 (13), 7013 (1995). 10.1074/jbc.270.13.7013
-
(1995)
J. Biol. Chem.
, vol.270
, Issue.13
, pp. 7013
-
-
Gravina, S.A.1
Ho, L.B.2
Eckman, C.B.3
Long, K.E.4
Otvos, L.5
Younkin, L.H.6
Suzuki, N.7
Younkin, S.G.8
-
7
-
-
0028169925
-
-
10.1016/0896-6273(94)90458-8
-
T. Iwatsubo, A. Odaka, N. Suzuki, H. Mizusawa, N. Nukina, and Y. Ihara, Neuron 13 (1), 45 (1994). 10.1016/0896-6273(94)90458-8
-
(1994)
Neuron
, vol.13
, Issue.1
, pp. 45
-
-
Iwatsubo, T.1
Odaka, A.2
Suzuki, N.3
Mizusawa, H.4
Nukina, N.5
Ihara, Y.6
-
8
-
-
0030799122
-
Amyloid β-protein fibrillogenesis: Detection of a protofibrillar intermediate
-
DOI 10.1074/jbc.272.35.22364
-
D. M. Walsh, A. Lomakin, G. B. Benedek, M. M. Condron, and D. B. Teplow, J. Biol. Chem. 272 (35), 22364 (1997). 10.1074/jbc.272.35.22364 (Pubitemid 27382873)
-
(1997)
Journal of Biological Chemistry
, vol.272
, Issue.35
, pp. 22364-22372
-
-
Walsh, D.M.1
Lomakin, A.2
Benedek, G.B.3
Condron, M.M.4
Teplow, D.B.5
-
9
-
-
0037174618
-
Alzheimer's disease is a synaptic failure
-
DOI 10.1126/science.1074069
-
D. J. Selkoe and J. Hardy, Science 298 (5595), 963 (2002). 10.1126/science.1074069 (Pubitemid 35231524)
-
(2002)
Science
, vol.298
, Issue.5594
, pp. 789-791
-
-
Selkoe, D.J.1
-
10
-
-
0242668337
-
Common structure of soluble amyloid oligomers implies common mechanism of pathogenesis
-
DOI 10.1126/science.1079469
-
C. G. Glabe, R. Kayed, E. Head, J. L. Thompson, T. M. McIntire, S. C. Milton, and C. W. Cotman, Science 300 (5618), 486 (2003). 10.1126/science. 1079469 (Pubitemid 36444329)
-
(2003)
Science
, vol.300
, Issue.5618
, pp. 486-489
-
-
Kayed, R.1
Head, E.2
Thompson, J.L.3
McIntire, T.M.4
Milton, S.C.5
Cotman, C.W.6
Glabel, C.G.7
-
11
-
-
18944407388
-
Nucleation-dependent polymerization is an essential component of amyloid-mediated neuronal cell death
-
DOI 10.1523/JNEUROSCI.2381-04.2005
-
R. E. Rydel, M. Wogulis, S. Wright, D. Cunningham, T. Chilcote, and K. Powell, J. Neurosci. 25 (5), 1071 (2005). 10.1523/JNEUROSCI.2381-04.2005 (Pubitemid 41741352)
-
(2005)
Journal of Neuroscience
, vol.25
, Issue.5
, pp. 1071-1080
-
-
Wogulis, M.1
Wright, S.2
Cunningham, D.3
Chilcote, T.4
Powell, K.5
Rydel, R.E.6
-
12
-
-
77953067946
-
-
10.1021/ja910964c
-
D. G. Lynn, Y. Liang, and K. M. Berland, J. Am. Chem. Soc. 132 (18), 6306 (2010). 10.1021/ja910964c
-
(2010)
J. Am. Chem. Soc.
, vol.132
, Issue.18
, pp. 6306
-
-
Lynn, D.G.1
Liang, Y.2
Berland, K.M.3
-
13
-
-
23644452100
-
1-helix, β-strand and random coil secondary structures
-
DOI 10.1111/j.1742-4658.2005.04812.x
-
J. Danielsson, J. Jarvet, P. Damberg, and A. Grslund, FEBS J. 272 (15), 3938 (2005). 10.1111/j.1742-4658.2005.04812.x (Pubitemid 41117225)
-
(2005)
FEBS Journal
, vol.272
, Issue.15
, pp. 3938-3949
-
-
Danielsson, J.1
Jarvet, J.2
Damberg, P.3
Graslund, A.4
-
15
-
-
22444449900
-
On the nucleation of amyloid β-protein monomer folding
-
DOI 10.1110/ps.041292205
-
N. D. Lazo, M. A. Grant, M. C. Condron, A. C. Rigby, and D. B. Teplow, Protein Sci. 14 (6), 1581 (2005). 10.1110/ps.041292205 (Pubitemid 41007920)
-
(2005)
Protein Science
, vol.14
, Issue.6
, pp. 1581-1596
-
-
Lazo, N.D.1
Grant, M.A.2
Condron, M.C.3
Rigby, A.C.4
Teplow, D.B.5
-
16
-
-
0025779179
-
-
10.1126/science.1853202
-
C. J. Barrow and M. G. Zagorski, Science 253 (5016), 179 (1991). 10.1126/science.1853202
-
(1991)
Science
, vol.253
, Issue.5016
, pp. 179
-
-
Barrow, C.J.1
Zagorski, M.G.2
-
17
-
-
0026682931
-
-
10.1016/0022-2836(92)90106-T
-
C. J. Barrow, A. Yasuda, P. T. M. Kenny, and M. G. Zagorski, J. Mol. Biol. 225 (4), 1075 (1992). 10.1016/0022-2836(92)90106-T
-
(1992)
J. Mol. Biol.
, vol.225
, Issue.4
, pp. 1075
-
-
Barrow, C.J.1
Yasuda, A.2
Kenny, P.T.M.3
Zagorski, M.G.4
-
18
-
-
33644867988
-
Structural changes of region 1-16 of the Alzheimer disease amyloid β-peptide upon zinc binding and in vitro aging
-
DOI 10.1074/jbc.M504454200
-
S. Rebuffat, S. Zirah, S. A. Kozin, A. K. Mazur, A. Blond, M. Cheminant, I. Segalas-Milazzo, and P. Debey, J. Biol. Chem. 281 (4), 2151 (2006). 10.1074/jbc.M504454200 (Pubitemid 43845805)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.4
, pp. 2151-2161
-
-
Zirah, S.1
Kozin, S.A.2
Mazur, A.K.3
Blond, A.4
Cheminant, M.5
Segalas-Milazzo, I.6
Debey, P.7
Rebuffat, S.8
-
19
-
-
0034806472
-
Zinc binding to Alzheimer's Aβ(1-16) peptide results in stable soluble complex
-
DOI 10.1006/bbrc.2001.5284
-
P. Debey, S. A. Kozin, S. Zirah, S. Rebuffat, and G. H. B. Hoa, Biochem. Biophys. Res. Commun. 285 (4), 959 (2001). 10.1006/bbrc.2001.5284 (Pubitemid 32918030)
-
(2001)
Biochemical and Biophysical Research Communications
, vol.285
, Issue.4
, pp. 959-964
-
-
Kozin, S.A.1
Zirah, S.2
Rebuffat, S.3
Hui Bon Hoa, G.4
Debey, P.5
-
20
-
-
33845515686
-
2
-
DOI 10.1111/j.1471-4159.2006.04178.x
-
Y. Matsuoka, K. Nishitomi, G. Sakaguchi, Y. Horikoshi, A. J. Gray, M. Maeda, C. Hirata-Fukae, A. G. Becker, M. Hosono, I. Sakaguchi, S. S. Minami, Y. Nakajima, H. F. Li, C. Takeyama, T. Kihara, A. Ota, P. C. Wong, P. S. Aisen, A. Kato, and N. Kinoshita, J. Neurochem. 99 (6), 1555 (2006). 10.1111/j.1471-4159. 2006.04178.x (Pubitemid 44924233)
-
(2006)
Journal of Neurochemistry
, vol.99
, Issue.6
, pp. 1555-1563
-
-
Nishitomi, K.1
Sakaguchi, G.2
Horikoshi, Y.3
Gray, A.J.4
Maeda, M.5
Hirata-Fukae, C.6
Becker, A.G.7
Hosono, M.8
Sakaguchi, I.9
Minami, S.S.10
Nakajima, Y.11
Li, H.-F.12
Takeyama, C.13
Kihara, T.14
Ota, A.15
Wong, P.C.16
Aisen, P.S.17
Kato, A.18
Kinoshita, N.19
Matsuoka, Y.20
more..
-
21
-
-
0038802776
-
Coordination abilities of the 1-16 and 1-28 fragments of β-amyloid peptide towards copper(II) ions: A combined potentiometric and spectroscopic study
-
DOI 10.1016/S0162-0134(03)00128-4
-
T. Kowalik-Jankowska, M. Ruta, K. Wisniewska, and L. Lankiewicz, J. Inorg. Biochem. 95 (4), 270 (2003). 10.1016/S0162-0134(03)00128-4 (Pubitemid 36775348)
-
(2003)
Journal of Inorganic Biochemistry
, vol.95
, Issue.4
, pp. 270-282
-
-
Kowalik-Jankowska, T.1
Ruta, M.2
Wisniewska, K.3
Lankiewicz, L.4
-
22
-
-
41549164349
-
-
N. Mousseau, X. Dong, W. Chen, and P. Derreumaux, J. Chem. Phys. 128 (12), 125108 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, Issue.12
, pp. 125108
-
-
Mousseau, N.1
Dong, X.2
Chen, W.3
Derreumaux, P.4
-
24
-
-
0028335794
-
Solution structure of residues 1-28 of the amyloid β-peptide
-
DOI 10.1021/bi00191a006
-
J. Talafous, K. J. Marcinowski, G. Klopman, and M. G. Zagorski, Biochemistry 33 (25), 7788 (1994). 10.1021/bi00191a006 (Pubitemid 24223797)
-
(1994)
Biochemistry
, vol.33
, Issue.25
, pp. 7788-7796
-
-
Talafous, J.1
Marcinowski, K.J.2
Klopman, G.3
Zagorski, M.G.4
-
25
-
-
33846324298
-
The Structure of the Alzheimer Amyloid β 10-35 Peptide Probed through Replica-Exchange Molecular Dynamics Simulations in Explicit Solvent
-
DOI 10.1016/j.jmb.2006.11.015, PII S0022283606015440
-
J. E. Shea and A. Baumketner, J. Mol. Biol. 366 (1), 275 (2007). 10.1016/j.jmb.2006.11.015 (Pubitemid 46123329)
-
(2007)
Journal of Molecular Biology
, vol.366
, Issue.1
, pp. 275-285
-
-
Baumketner, A.1
Shea, J.-E.2
-
26
-
-
66749092410
-
-
10.1021/jp900425e
-
P. Derreumaux, Y. Chebaro, and N. Mousseau, J. Phys. Chem. B 113 (21), 7668 (2009). 10.1021/jp900425e
-
(2009)
J. Phys. Chem. B
, vol.113
, Issue.21
, pp. 7668
-
-
Derreumaux, P.1
Chebaro, Y.2
Mousseau, N.3
-
27
-
-
33748277992
-
The conformations of the amyloid-β (21-30) fragment can be described by three families in solution
-
DOI 10.1063/1.2337628
-
N. Mousseau, W. Chen, and P. Derreumaux, J. Chem. Phys. 125 (8), 084911 (2006). 10.1063/1.2337628 (Pubitemid 44320098)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.8
, pp. 084911
-
-
Chen, W.1
Mousseau, N.2
Derreumaux, P.3
-
28
-
-
44149101188
-
-
10.1016/j.jmb.2008.04.028
-
D. Thirumalai, B. Tarus, and J. E. Straub, J. Mol. Biol. 379 (4), 815 (2008). 10.1016/j.jmb.2008.04.028
-
(2008)
J. Mol. Biol.
, vol.379
, Issue.4
, pp. 815
-
-
Thirumalai, D.1
Tarus, B.2
Straub, J.E.3
-
29
-
-
33845570428
-
10-35 monomers
-
DOI 10.1021/ja064872y
-
J. E. Straub, B. Tarus, and D. Thirumalai, J. Am. Chem. Soc. 128 (50), 16159 (2006). 10.1021/ja064872y (Pubitemid 44936609)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.50
, pp. 16159-16168
-
-
Tarus, B.1
Straub, J.E.2
Thirumalai, D.3
-
30
-
-
61649098771
-
-
10.1016/j.jmb.2009.01.029
-
J. E. Shea, C. Wu, M. M. Murray, S. L. Bernstein, M. M. Condron, G. Bitan, and M. T. Bowers, J. Mol. Biol. 387 (2), 492 (2009). 10.1016/j.jmb.2009. 01.029
-
(2009)
J. Mol. Biol.
, vol.387
, Issue.2
, pp. 492
-
-
Shea, J.E.1
Wu, C.2
Murray, M.M.3
Bernstein, S.L.4
Condron, M.M.5
Bitan, G.6
Bowers, M.T.7
-
31
-
-
84954358028
-
-
10.1016/j.jmb.2008.09.039
-
D. B. Teplow and M. F. Yang, J. Mol. Biol. 384 (2), 450 (2008). 10.1016/j.jmb.2008.09.039
-
(2008)
J. Mol. Biol.
, vol.384
, Issue.2
, pp. 450
-
-
Teplow, D.B.1
Yang, M.F.2
-
32
-
-
34247234602
-
The Alzheimer's Peptides Aβ40 and 42 Adopt Distinct Conformations in Water: A Combined MD / NMR Study
-
DOI 10.1016/j.jmb.2007.02.093, PII S0022283607003105
-
A. E. Garcia, N. G. Sgourakis, Y. L. Yan, S. A. McCallum, and C. Y. Wang, J. Mol. Biol. 368 (5), 1448 (2007). 10.1016/j.jmb.2007.02.093 (Pubitemid 46617600)
-
(2007)
Journal of Molecular Biology
, vol.368
, Issue.5
, pp. 1448-1457
-
-
Sgourakis, N.G.1
Yan, Y.2
McCallum, S.A.3
Wang, C.4
Garcia, A.E.5
-
33
-
-
33744467718
-
Structure of the 21-30 fragment of amyloid β-protein
-
DOI 10.1110/ps.062076806
-
J. E. Shea, A. Baumketner, S. L. Bernstein, T. Wyttenbach, N. D. Lazo, D. B. Teplow, and M. T. Bowers, Protein Sci. 15 (6), 1239 (2006). 10.1110/ps.062076806 (Pubitemid 43799997)
-
(2006)
Protein Science
, vol.15
, Issue.6
, pp. 1239-1247
-
-
Baumketner, A.1
Bernstein, S.L.2
Wyttenbach, T.3
Lazo, N.D.4
Teplow, D.B.5
Bowers, M.T.6
Shea, J.-E.7
-
34
-
-
0001616080
-
-
10.1016/S0009-2614(99)01123-9
-
Y. Okamoto and Y. Sugita, Chem. Phys. Lett. 314 (1-2), 141 (1999). 10.1016/S0009-2614(99)01123-9
-
(1999)
Chem. Phys. Lett.
, vol.314
, Issue.12
, pp. 141
-
-
Okamoto, Y.1
Sugita, Y.2
-
35
-
-
0033010879
-
Angiomatous variant of pleomorphic xanthoastrocytoma in a patient with a 20-year history of epilepsy
-
DOI 10.1046/j.1440-1789.1999.00218.x
-
Y. Sugita, I. Hayashi, T. Aoki, M. Shigemori, M. Morimatsu, Y. Okamoto, and K. Kajiwara, Neuropathology 19 (2), 190 (1999). 10.1046/j.1440-1789.1999. 00218.x (Pubitemid 29271901)
-
(1999)
Neuropathology
, vol.19
, Issue.2
, pp. 190-195
-
-
Sugita, Y.1
Hayashi, I.2
Aoki, T.3
Shigemori, M.4
Morimatsu, M.5
Okamoto, Y.6
Kajiwara, K.7
-
36
-
-
79960237265
-
-
10.1021/ct200208h
-
M. K. Prakash, A. Barducci, and M. Parrinello, J. Chem. Theory Comput. 7 (7), 2025 (2011). 10.1021/ct200208h
-
(2011)
J. Chem. Theory Comput.
, vol.7
, Issue.7
, pp. 2025
-
-
Prakash, M.K.1
Barducci, A.2
Parrinello, M.3
-
37
-
-
32344451179
-
The α-to-β conformational transition of Alzheimer's Aβ-(1-42) peptide in aqueous media is reversible: A step by step conformational analysis suggests the location of β conformation seeding
-
DOI 10.1002/cbic.200500223
-
D. Picone, S. Tomaselli, V. Esposito, P. Vangone, N. A. J. van Nuland, A. M. J. J. Bonvin, R. Guerrini, T. Tancredi, and P. A. Temussi, ChemBioChem 7 (2), 257 (2006). 10.1002/cbic.200500223 (Pubitemid 43220939)
-
(2006)
ChemBioChem
, vol.7
, Issue.2
, pp. 257-267
-
-
Tomaselli, S.1
Esposito, V.2
Vangone, P.3
Van Nuland, N.A.J.4
Bonvin, A.M.J.J.5
Guerrini, R.6
Tancredi, T.7
Temussi, P.A.8
Picone, D.9
-
38
-
-
58049201323
-
-
(University of California, San Francisco, 2008)
-
D. A. Case, T. A. Darden, T. E. Cheatham, C. L. Simmerling, J. Wang, R. E. Duke, R. Luo, M. Crowley, R. C. Walker, W. Zhang, K. M. Merz, B. Wang, S. Hayik, A. Roitberg, G. Seabra, L. Kolossvary, K. F. Wong, F. Paesani, J. Vanicek, X. Wu, S. R. Brozell, T. Steinbrecher, H. Gohlke, L. Yang, C. Tan, J. Mongon, V. Hornak, C. Gui, D. H. Mathews, M. J. Seetin, C. Sagui, V. Babin, and P. A. Kollman, Amber 10 (University of California, San Francisco, 2008).
-
Amber 10
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Crowley, M.8
Walker, R.C.9
Zhang, W.10
Merz, K.M.11
Wang, B.12
Hayik, S.13
Roitberg, A.14
Seabra, G.15
Kolossvary, L.16
Wong, K.F.17
Paesani, F.18
Vanicek, J.19
Wu, X.20
Brozell, S.R.21
Steinbrecher, T.22
Gohlke, H.23
Yang, L.24
Tan, C.25
Mongon, J.26
Hornak, V.27
Gui, C.28
Mathews, D.H.29
Seetin, M.J.30
Sagui, C.31
Babin, V.32
Kollman, P.A.33
more..
-
39
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
DOI 10.1002/prot.21123
-
C. Simmerling, V. Hornak, R. Abel, A. Okur, B. Strockbine, and A. Roitberg, Proteins 65 (3), 712 (2006). 10.1002/prot.21123 (Pubitemid 44583220)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.65
, Issue.3
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
40
-
-
1842479952
-
Exploring Protein Native States and Large-Scale Conformational Changes with a Modified Generalized Born Model
-
DOI 10.1002/prot.20033
-
D. A. Case, A. Onufriev, and D. Bashford, Proteins 55 (2), 383 (2004). 10.1002/prot.20033 (Pubitemid 38437495)
-
(2004)
Proteins: Structure, Function and Genetics
, vol.55
, Issue.2
, pp. 383-394
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
44
-
-
0035544152
-
13C′ chemical shifts in proteins using a density functional database
-
DOI 10.1023/A:1013324104681
-
D. A. Case and X. P. Xu, J. Biomol. NMR 21 (4), 321 (2001). 10.1023/A:1013324104681 (Pubitemid 34071387)
-
(2001)
Journal of Biomolecular NMR
, vol.21
, Issue.4
, pp. 321-333
-
-
Xu X.-P. Xiao-Ping1
Case, D.A.2
-
45
-
-
10744219665
-
Solution NMR Studies of the Aβ(1-40) and Aβ(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation
-
DOI 10.1021/ja036813f
-
M. G. Zagorski, L. M. Hou, H. Y. Shao, Y. B. Zhang, H. Li, N. K. Menon, E. B. Neuhaus, J. M. Brewer, I. J. L. Byeon, D. G. Ray, M. P. Vitek, T. Iwashita, R. A. Makula, and A. B. Przybyla, J. Am. Chem. Soc. 126 (7), 1992 (2004). 10.1021/ja036813f (Pubitemid 38228879)
-
(2004)
Journal of the American Chemical Society
, vol.126
, Issue.7
, pp. 1992-2005
-
-
Hou, L.1
Shao, H.2
Zhang, Y.3
Li, H.4
Menon, N.K.5
Neuhaus, E.B.6
Brewer, J.M.7
Byeon, I.-J.L.8
Ray, D.G.9
Vitek, M.P.10
Iwashita, T.11
Makula, R.A.12
Przybyla, A.B.13
Zagorski, M.G.14
-
46
-
-
0034521981
-
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
-
DOI 10.1021/ar000033j
-
P. A. Kollman, I. Massova, C. Reyes, B. Kuhn, S. H. Huo, L. Chong, M. Lee, T. Lee, Y. Duan, W. Wang, O. Donini, P. Cieplak, J. Srinivasan, D. A. Case, and T. E. Cheatham, Accounts Chem. Res. 33 (12), 889 (2000). 10.1021/ar000033j (Pubitemid 32056774)
-
(2000)
Accounts of Chemical Research
, vol.33
, Issue.12
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
-
47
-
-
0034212858
-
-
10.1002/(SICI)1097-0134(20000601)39:4309::AID-PROT403.0.CO;2-S
-
M. R. Lee, Y. Duan, and P. A. Kollman, Proteins: Struct., Funct., Genet. 39 (4), 309 (2000). 10.1002/(SICI)1097-0134(20000601)39:4309::AID-PROT403.0. CO;2-S
-
(2000)
Proteins: Struct., Funct., Genet.
, vol.39
, Issue.4
, pp. 309
-
-
Lee, M.R.1
Duan, Y.2
Kollman, P.A.3
-
48
-
-
73249115986
-
-
10.1021/ja903814q
-
N. F. Dupuis, C. Wu, J.-E. Shea, and M. T. Bowers, J. Am. Chem. Soc. 131 (51), 18283 (2009). 10.1021/ja903814q
-
(2009)
J. Am. Chem. Soc.
, vol.131
, Issue.51
, pp. 18283
-
-
Dupuis, N.F.1
Wu, C.2
Shea, J.-E.3
Bowers, M.T.4
-
49
-
-
32844457567
-
-
10.1021/j100058a043
-
D. Sitkoff, K. A. Sharp, and B. Honig, J. Phys. Chem. 98 (7), 1978 (1994). 10.1021/j100058a043
-
(1994)
J. Phys. Chem.
, vol.98
, Issue.7
, pp. 1978
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
50
-
-
0028331255
-
-
10.1016/S0959-440X(94)90321-2
-
D. A. Case, Curr. Opin. Struct. Biol. 4 (2), 285 (1994). 10.1016/S0959-440X(94)90321-2
-
(1994)
Curr. Opin. Struct. Biol.
, vol.4
, Issue.2
, pp. 285
-
-
Case, D.A.1
-
51
-
-
77951841239
-
-
10.3390/molecules15042730
-
R. Pouplana and J. M. Campanera, Molecules 15 (4), 2730 (2010). 10.3390/molecules15042730
-
(2010)
Molecules
, vol.15
, Issue.4
, pp. 2730
-
-
Pouplana, R.1
Campanera, J.M.2
-
52
-
-
85031257209
-
-
10.1016/j.bpj.2010.12.248
-
J. E. Shea, C. Wu, and M. T. Bowers, Biophys J 100 (5), 1316 (2011). 10.1016/j.bpj.2010.12.248
-
(2011)
Biophys J
, vol.100
, Issue.5
, pp. 1316
-
-
Shea, J.E.1
Wu, C.2
Bowers, M.T.3
-
53
-
-
79959763012
-
-
10.1002/bi21611
-
A. E. Masunov and W. M. Berhanu, Biopolymers 95 (9), 573-590 (2011). 10.1002/bip.21611
-
(2011)
Biopolymers
, vol.95
, Issue.9
, pp. 573-590
-
-
Masunov, A.E.1
Berhanu, W.M.2
-
54
-
-
0001351515
-
-
10.1016/0009-2614(93)89366-P
-
J. Schlitter, Chem. Phys. Lett. 215 (6), 617 (1993). 10.1016/0009- 2614(93)89366-P
-
(1993)
Chem. Phys. Lett.
, vol.215
, Issue.6
, pp. 617
-
-
Schlitter, J.1
-
55
-
-
0037340909
-
-
10.1016/S0006-3495(03)74962-5
-
J. Schlitter, W. Swegat, P. Kruger, and A. Wollmer, Biophys. J. 84 (3), 1493 (2003). 10.1016/S0006-3495(03)74962-5
-
(2003)
Biophys. J.
, vol.84
, Issue.3
, pp. 1493
-
-
Schlitter, J.1
Swegat, W.2
Kruger, P.3
Wollmer, A.4
-
56
-
-
77951210462
-
-
10.1002/Prot.22687
-
A. Warshel and N. Singh, Proteins 78 (7), 1705 (2010). 10.1002/Prot.22687
-
(2010)
Proteins
, vol.78
, Issue.7
, pp. 1705
-
-
Warshel, A.1
Singh, N.2
-
57
-
-
0020997912
-
-
10.1002/bi360221211
-
W. Kabsch and C. Sander, Biopolymers 22 (12), 2577 (1983). 10.1002/bip.360221211
-
(1983)
Biopolymers
, vol.22
, Issue.12
, pp. 2577
-
-
Kabsch, W.1
Sander, C.2
-
58
-
-
82555165314
-
-
See supplementary material at E-JCPSA6-135-007144 for intra-molecular interactions using different distance criteria. This document also contains the average secondary structure abundances of each peptide, the radius of gyration probability distributions of each peptide, PMF convergence test results, -helix and -sheet content associated with their G, secondary structure abundances of each PMF basin for each peptide, intra-molecular interactions for the structures located in each PMF basin for each peptide, and formed salt bridges for the structures located in each PMF basin for each peptide
-
See supplementary material at http://dx.doi.org/10.1063/1.3662490 E-JCPSA6-135-007144 for intra-molecular interactions using different distance criteria. This document also contains the average secondary structure abundances of each peptide, the radius of gyration probability distributions of each peptide, PMF convergence test results, -helix and -sheet content associated with their G, secondary structure abundances of each PMF basin for each peptide, intra-molecular interactions for the structures located in each PMF basin for each peptide, and formed salt bridges for the structures located in each PMF basin for each peptide.
-
-
-
-
59
-
-
0035133048
-
-
10.1016/S0006-3495(01)75993-0
-
J. E. Straub, F. Massi, J. W. Peng, and J. P. Lee, Biophys. J. 80 (1), 31 (2001). 10.1016/S0006-3495(01)75993-0
-
(2001)
Biophys. J.
, vol.80
, Issue.1
, pp. 31
-
-
Straub, J.E.1
Massi, F.2
Peng, J.W.3
Lee, J.P.4
-
60
-
-
78650863624
-
-
10.1016/j.jmb.2010.10.015
-
A. E. Garcia, N. G. Sgourakis, M. Merced-Serrano, C. Boutsidis, P. Drineas, Z. M. Du, and C. Y. Wang, J Mol Biol 405 (2), 570 (2011). 10.1016/j.jmb.2010.10.015
-
(2011)
J Mol Biol
, vol.405
, Issue.2
, pp. 570
-
-
Garcia, A.E.1
Sgourakis, N.G.2
Merced-Serrano, M.3
Boutsidis, C.4
Drineas, P.5
Du, Z.M.6
Wang, C.Y.7
-
61
-
-
25844492293
-
-
10.1021/ct0500904
-
M. K. Gilson, C. E. Chang, and W. Chen, J. Chem. Theory Comput. 1 (5), 1017 (2005). 10.1021/ct0500904
-
(2005)
J. Chem. Theory Comput.
, vol.1
, Issue.5
, pp. 1017
-
-
Gilson, M.K.1
Chang, C.E.2
Chen, W.3
-
62
-
-
16344395749
-
Calculation of cyclodextrin binding affinities: Energy, entropy, and implications for drug design
-
DOI 10.1529/biophysj.104.049494
-
C. E. Chang, W. Chen, and M. K. Gilson, Biophys. J. 87 (5), 3035 (2004). 10.1529/Biophysj.104.049494 (Pubitemid 40468563)
-
(2004)
Biophysical Journal
, vol.87
, Issue.5
, pp. 3035-3049
-
-
Chen, W.1
Chang, C.-E.2
Gilson, M.K.3
-
63
-
-
78149429655
-
-
10.1021/ct900668k
-
M. K. Gilson, W. Chen, S. P. Webb, and M. J. Potter, J. Chem. Theory Comput. 6 (11), 3540 (2010). 10.1021/ct900668k
-
(2010)
J. Chem. Theory Comput.
, vol.6
, Issue.11
, pp. 3540
-
-
Gilson, M.K.1
Chen, W.2
Webb, S.P.3
Potter, M.J.4
-
64
-
-
33846822002
-
Ligand configurational entropy and protein binding
-
DOI 10.1073/pnas.0610494104
-
M. K. Gilson, C. E. A. Chang, and W. Chen, Proc. Natl. Acad. Sci. U.S.A. 104 (5), 1534 (2007). 10.1073/pnas.0610494104 (Pubitemid 46214625)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.5
, pp. 1534-1539
-
-
Chang, C.-E.A.1
Chen, W.2
Gilson, M.K.3
-
65
-
-
79952360229
-
-
10.1016/j.cplett.2011.02.006
-
S. H. Chong and S. Ham, Chem. Phys. Lett. 504 (4-6), 225 (2011). 10.1016/j.cplett.2011.02.006
-
(2011)
Chem. Phys. Lett.
, vol.504
, Issue.46
, pp. 225
-
-
Chong, S.H.1
Ham, S.2
-
66
-
-
78650086243
-
-
10.1002/jcc.21628
-
C. Lee and S. Ham, J. Comput. Chem. 32 (2), 349 (2011). 10.1002/jcc.21628
-
(2011)
J. Comput. Chem.
, vol.32
, Issue.2
, pp. 349
-
-
Lee, C.1
Ham, S.2
-
68
-
-
34547442346
-
Bak regulates mitochondrial morphology and pathology during apoptosis by interacting with mitofusins
-
DOI 10.1073/pnas.0703976104
-
C. L. Brooks and J. Khandogin, Proc. Natl. Acad. Sci. U.S.A. 104 (43), 16880 (2007). 10.1073/pnas.0703976104 (Pubitemid 47175067)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.28
, pp. 11649-11654
-
-
Brooks, C.1
Wei, Q.2
Feng, L.3
Dong, G.4
Tao, Y.5
Mei, L.6
Xie, Z.-J.7
Dong, Z.8
-
69
-
-
33748121600
-
Folding Landscapes of the Alzheimer Amyloid-β(12-28) Peptide
-
DOI 10.1016/j.jmb.2006.07.032, PII S0022283606009028
-
A. Baumketner and J.-E. Shea, J. Mol. Biol. 362 (3), 567 (2006). 10.1016/j.jmb.2006.07.032 (Pubitemid 44307159)
-
(2006)
Journal of Molecular Biology
, vol.362
, Issue.3
, pp. 567-579
-
-
Baumketner, A.1
Shea, J.-E.2
-
71
-
-
58249138904
-
-
10.1016/j.theochem.2008.10.003
-
C. Yang, J. Li, Y. Li, and X. Zhu, J. Mol. Struct.: THEOCHEM 895 (1-3), 1 (2009). 10.1016/j.theochem.2008.10.003
-
(2009)
J. Mol. Struct.: THEOCHEM
, vol.895
, Issue.13
, pp. 1
-
-
Yang, C.1
Li, J.2
Li, Y.3
Zhu, X.4
-
72
-
-
80051658781
-
-
10.1021/ct1006967
-
N. Mousseau, S. Cote, and P. Derreumaux, J. Chem. Theory Comput. 7 (8), 2584 (2011). 10.1021/ct1006967
-
(2011)
J. Chem. Theory Comput.
, vol.7
, Issue.8
, pp. 2584
-
-
Mousseau, N.1
Cote, S.2
Derreumaux, P.3
-
73
-
-
33645396508
-
-
10.1016/j.chemphys.2005.08.071
-
G. Fels and E. Luttmann, Chem. Phys. 323 (1), 138 (2006). 10.1016/j.chemphys.2005.08.071
-
(2006)
Chem. Phys.
, vol.323
, Issue.1
, pp. 138
-
-
Fels, G.1
Luttmann, E.2
-
74
-
-
33751106208
-
Aβ42 is More Rigid than Aβ40 at the C Terminus: Implications for Aβ Aggregation and Toxicity
-
DOI 10.1016/j.jmb.2006.09.046, PII S0022283606012551
-
C. Y. Wang and Y. L. Yan, J. Mol. Biol. 364 (5), 853 (2006). 10.1016/j.jmb.2006.09.046 (Pubitemid 44765041)
-
(2006)
Journal of Molecular Biology
, vol.364
, Issue.5
, pp. 853-862
-
-
Yan, Y.1
Wang, C.2
-
75
-
-
20444363123
-
Energy landscape of amyloidogenic peptide oligomerization by parallel-tempering molecular dynamics simulation: Significant role of Asn ladder
-
DOI 10.1073/pnas.0408653102
-
R. Nussinov, H. H. Tsai, M. Reches, C. J. Tsai, K. Gunasekaran, and E. Gazit, Proc. Natl. Acad. Sci. U.S.A. 102 (23), 8174 (2005). 10.1073/pnas. 0408653102 (Pubitemid 40800062)
-
(2005)
Proceedings of the National Academy of Sciences of the United States of America
, vol.102
, Issue.23
, pp. 8174-8179
-
-
Tsai, H.-H.1
Reches, M.2
Tsai, C.-J.3
Gunasekaran, K.4
Gazit, E.5
Nussinov, R.6
-
76
-
-
80052231359
-
-
10.1021/bi200732x
-
T. Head-Gordon, K. A. Ball, A. H. Phillips, P. S. Nerenberg, N. L. Fawzi, and D. E. Wemmer, Biochemistry 50 (35), 7612 (2011). 10.1021/bi200732x
-
(2011)
Biochemistry
, vol.50
, Issue.35
, pp. 7612
-
-
Head-Gordon, T.1
Ball, K.A.2
Phillips, A.H.3
Nerenberg, P.S.4
Fawzi, N.L.5
Wemmer, D.E.6
-
77
-
-
78650086243
-
-
10.1002/jcc.21628
-
S. Ham and C. Lee, J. Comput. Chem. 32 (2), 349 (2011). 10.1002/jcc.21628
-
(2011)
J. Comput. Chem.
, vol.32
, Issue.2
, pp. 349
-
-
Ham, S.1
Lee, C.2
-
78
-
-
42449104881
-
-
10.1021/jp8066469
-
H. F. Ji, L. Shen, and H. Y. Zhang, J. Phys. Chem. B 112 (10), 3164 (2008). 10.1021/jp8066469
-
(2008)
J. Phys. Chem. B
, vol.112
, Issue.10
, pp. 3164
-
-
Ji, H.F.1
Shen, L.2
Zhang, H.Y.3
|