-
2
-
-
77958160823
-
Dynamics connect substrate recognition to catalysis in protein kinase A
-
L.R. Masterson, and C. Cheng G. Veglia Dynamics connect substrate recognition to catalysis in protein kinase A Nat. Chem. Biol. 6 2010 821 828
-
(2010)
Nat. Chem. Biol.
, vol.6
, pp. 821-828
-
-
Masterson, L.R.1
Cheng, C.2
Veglia, G.3
-
3
-
-
70449769332
-
Observing biological dynamics at atomic resolution using NMR
-
A.K. Mittermaier, and L.E. Kay Observing biological dynamics at atomic resolution using NMR Trends Biochem. Sci. 34 2009 601 611
-
(2009)
Trends Biochem. Sci.
, vol.34
, pp. 601-611
-
-
Mittermaier, A.K.1
Kay, L.E.2
-
4
-
-
0041821836
-
A perspective on enzyme catalysis
-
DOI 10.1126/science.1085515
-
S.J. Benkovic, and S. Hammes-Schiffer A perspective on enzyme catalysis Science 301 2003 1196 1202 (Pubitemid 37052200)
-
(2003)
Science
, vol.301
, Issue.5637
, pp. 1196-1202
-
-
Benkovic, S.J.1
Hammes-Schiffer, S.2
-
5
-
-
0347357617
-
Protein folding and misfolding
-
DOI 10.1038/nature02261
-
C.M. Dobson Protein folding and misfolding Nature 426 2003 884 890 (Pubitemid 38056880)
-
(2003)
Nature
, vol.426
, Issue.6968
, pp. 884-890
-
-
Dobson, C.M.1
-
6
-
-
76549109225
-
Millisecond timescale fluctuations in dihydrofolate reductase are exquisitely sensitive to the bound ligands
-
D.D. Boehr, and D. McElheny P.E. Wright Millisecond timescale fluctuations in dihydrofolate reductase are exquisitely sensitive to the bound ligands Proc. Natl. Acad. Sci. USA 107 2010 1373 1378
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 1373-1378
-
-
Boehr, D.D.1
McElheny, D.2
Wright, P.E.3
-
8
-
-
73949104409
-
Single-molecule spectroscopy of the temperature-induced collapse of unfolded proteins
-
D. Nettels, and S. Müller-Späth B. Schuler Single-molecule spectroscopy of the temperature-induced collapse of unfolded proteins Proc. Natl. Acad. Sci. USA 106 2009 20740 20745
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 20740-20745
-
-
Nettels, D.1
Müller-Späth, S.2
Schuler, B.3
-
9
-
-
67849133810
-
Toward an accurate determination of free energy landscapes in solution states of proteins
-
A. De Simone, and B. Richter M. Vendruscolo Toward an accurate determination of free energy landscapes in solution states of proteins J. Am. Chem. Soc. 131 2009 3810 3811
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 3810-3811
-
-
De Simone, A.1
Richter, B.2
Vendruscolo, M.3
-
10
-
-
84855438639
-
Experimental energy surfaces reveal the mechanisms of maintenance of protein solubility
-
10.1073/pnas.1112197108 In press
-
A. De Simone, and A. Dhulesia C.M. Dobson Experimental energy surfaces reveal the mechanisms of maintenance of protein solubility Proc. Natl. Acad. Sci. USA 2011 10.1073/pnas.1112197108 In press
-
(2011)
Proc. Natl. Acad. Sci. USA
-
-
De Simone, A.1
Dhulesia, A.2
Dobson, C.M.3
-
11
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
DOI 10.1038/nsb0902-646
-
M. Karplus, and J.A. McCammon Molecular dynamics simulations of biomolecules Nat. Struct. Biol. 9 2002 646 652 (Pubitemid 34977295)
-
(2002)
Nature Structural Biology
, vol.9
, Issue.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
12
-
-
46049096322
-
Ab Initio Folding of Proteins with All-Atom Discrete Molecular Dynamics
-
DOI 10.1016/j.str.2008.03.013, PII S0969212608001780
-
F. Ding, and D. Tsao N.V. Dokholyan Ab initio folding of proteins with all-atom discrete molecular dynamics Structure 16 2008 1010 1018 (Pubitemid 351899281)
-
(2008)
Structure
, vol.16
, Issue.7
, pp. 1010-1018
-
-
Ding, F.1
Tsao, D.2
Nie, H.3
Dokholyan, N.V.4
-
13
-
-
58149277699
-
Factors governing helix formation in peptides confined to carbon nanotubes
-
E.P. O'Brien, and G. Stan B.R. Brooks Factors governing helix formation in peptides confined to carbon nanotubes Nano Lett. 8 2008 3702 3708
-
(2008)
Nano Lett.
, vol.8
, pp. 3702-3708
-
-
O'Brien, E.P.1
Stan, G.2
Brooks, B.R.3
-
14
-
-
3142716857
-
Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules
-
D. Hamelberg, J. Mongan, and J.A. McCammon Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules J. Chem. Phys. 120 2004 11919 11929
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 11919-11929
-
-
Hamelberg, D.1
Mongan, J.2
McCammon, J.A.3
-
15
-
-
70450237199
-
Toward a unified representation of protein structural dynamics in solution
-
P.R. Markwick, and G. Bouvignies M. Blackledge Toward a unified representation of protein structural dynamics in solution J. Am. Chem. Soc. 131 2009 16968 16975
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 16968-16975
-
-
Markwick, P.R.1
Bouvignies, G.2
Blackledge, M.3
-
17
-
-
33750040264
-
Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics
-
DOI 10.1021/ja062463w
-
G. Bussi, and F.L. Gervasio M. Parrinello Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics J. Am. Chem. Soc. 128 2006 13435 13441 (Pubitemid 44583028)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.41
, pp. 13435-13441
-
-
Bussi, G.1
Gervasio, F.L.2
Laio, A.3
Parrinello, M.4
-
19
-
-
77952251127
-
Linking well-tempered metadynamics simulations with experiments
-
A. Barducci, M. Bonomi, and M. Parrinello Linking well-tempered metadynamics simulations with experiments Biophys. J. 98 2010 L44 L46
-
(2010)
Biophys. J.
, vol.98
-
-
Barducci, A.1
Bonomi, M.2
Parrinello, M.3
-
21
-
-
77249149930
-
Ligand binding and hydration in protein misfolding: Insights from studies of prion and p53 tumor suppressor proteins
-
J.L. Silva, and T.C.R.G. Vieira D. Foguel Ligand binding and hydration in protein misfolding: insights from studies of prion and p53 tumor suppressor proteins Acc. Chem. Res. 43 2010 271 279
-
(2010)
Acc. Chem. Res.
, vol.43
, pp. 271-279
-
-
Silva, J.L.1
Vieira, T.C.R.G.2
Foguel, D.3
-
22
-
-
67650477115
-
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics
-
M. Bonomi, A. Barducci, and M. Parrinello Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics J. Comput. Chem. 30 2009 1615 1621
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1615-1621
-
-
Bonomi, M.1
Barducci, A.2
Parrinello, M.3
-
23
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
DOI 10.1021/ja9621760, PII S0002786396021762
-
W. Jorgensen, D. Maxwell, and J. Tirado-Rives Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids J. Am. Chem. Soc. 118 1996 11225 11236 (Pubitemid 26399746)
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
24
-
-
34547179849
-
Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology
-
DOI 10.1007/s10858-007-9166-6
-
Y. Shen, and A. Bax Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology J. Biomol. NMR 38 2007 289 302 (Pubitemid 47108511)
-
(2007)
Journal of Biomolecular NMR
, vol.38
, Issue.4
, pp. 289-302
-
-
Shen, Y.1
Bax, A.2
-
25
-
-
0034836367
-
Sequence-dependent correction of random coil NMR chemical shifts
-
DOI 10.1021/ja003760i
-
S. Schwarzinger, and G.J. Kroon H.J. Dyson Sequence-dependent correction of random coil NMR chemical shifts J. Am. Chem. Soc. 123 2001 2970 2978 (Pubitemid 32879567)
-
(2001)
Journal of the American Chemical Society
, vol.123
, Issue.13
, pp. 2970-2978
-
-
Schwarzinger, S.1
Kroon, G.J.A.2
Foss, T.R.3
Chung, J.4
Wright, P.E.5
Dyson, H.J.6
-
26
-
-
0347610773
-
Empirical correlation between protein backbone conformation and Cα and Cβ 13C nuclear magnetic resonance chemical shifts
-
S. Spera, and A. Bax Empirical correlation between protein backbone conformation and Cα and Cβ 13C nuclear magnetic resonance chemical shifts J. Am. Chem. Soc. 113 1991 5490 5492
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 5490-5492
-
-
Spera, S.1
Bax, A.2
-
27
-
-
0346749511
-
Sc conversion process
-
DOI 10.1074/jbc.M305234200
-
J. Ziegler, and H. Sticht S. Schwarzinger CD and NMR studies of prion protein (PrP) helix 1. Novel implications for its role in the PrPC - >PrPSc conversion process J. Biol. Chem. 278 2003 50175 50181 (Pubitemid 37548856)
-
(2003)
Journal of Biological Chemistry
, vol.278
, Issue.50
, pp. 50175-50181
-
-
Ziegler, J.1
Sticht, H.2
Marx, U.C.3
Muller, W.4
Rosch, P.5
Schwarzinger, S.6
-
28
-
-
58349097284
-
Complementarity determining regions of an anti-prion protein scFv fragment orchestrate conformation specificity and antiprion activity
-
A. Müller-Schiffmann, and B. Petsch C. Korth Complementarity determining regions of an anti-prion protein scFv fragment orchestrate conformation specificity and antiprion activity Mol. Immunol. 46 2009 532 540
-
(2009)
Mol. Immunol.
, vol.46
, pp. 532-540
-
-
Müller-Schiffmann, A.1
Petsch, B.2
Korth, C.3
-
31
-
-
72249104272
-
Exact distances and internal dynamics of perdeuterated ubiquitin from NOE buildups
-
B. Vögeli, and T.F. Segawa R. Riek Exact distances and internal dynamics of perdeuterated ubiquitin from NOE buildups J. Am. Chem. Soc. 131 2009 17215 17225
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 17215-17225
-
-
Vögeli, B.1
Segawa, T.F.2
Riek, R.3
-
32
-
-
0025904730
-
Defining solution conformations of small linear peptides
-
H.J. Dyson, and P.E. Wright Defining solution conformations of small linear peptides Annu. Rev. Biophys. Biophys. Chem. 20 1991 519 538
-
(1991)
Annu. Rev. Biophys. Biophys. Chem.
, vol.20
, pp. 519-538
-
-
Dyson, H.J.1
Wright, P.E.2
-
33
-
-
78149361854
-
Mapping of protein structural ensembles by chemical shifts
-
K. Baskaran, and K. Brunner H.R. Kalbitzer Mapping of protein structural ensembles by chemical shifts J. Biomol. NMR 48 2010 71 83
-
(2010)
J. Biomol. NMR
, vol.48
, pp. 71-83
-
-
Baskaran, K.1
Brunner, K.2
Kalbitzer, H.R.3
-
34
-
-
34548221936
-
Structural and hydration properties of the partially unfolded states of the prion protein
-
DOI 10.1529/biophysj.107.108613
-
A. De Simone, A. Zagari, and P. Derreumaux Structural and hydration properties of the partially unfolded states of the prion protein Biophys. J. 93 2007 1284 1292 (Pubitemid 47330908)
-
(2007)
Biophysical Journal
, vol.93
, Issue.4
, pp. 1284-1292
-
-
De Simone, A.1
Zagari, A.2
Derreumaux, P.3
-
36
-
-
9344258589
-
Possible role of region 152-156 in the structural duality of a peptide fragment from sheep prion protein
-
DOI 10.1110/ps.04745004
-
S. Megy, and G. Bertho J.P. Girault Possible role of region 152-156 in the structural duality of a peptide fragment from sheep prion protein Protein Sci. 13 2004 3151 3160 (Pubitemid 39557786)
-
(2004)
Protein Science
, vol.13
, Issue.12
, pp. 3151-3160
-
-
Megy, S.1
Bertho, G.2
Kozin, S.A.3
Debey, P.4
Hoa, G.H.B.5
Girault, J.-P.6
-
37
-
-
33748644012
-
Sc
-
DOI 10.1128/JVI.00366-06
-
E.M. Norstrom, and J.A. Mastrianni The charge structure of helix 1 in the prion protein regulates conversion to pathogenic PrPSc J. Virol. 80 2006 8521 8529 (Pubitemid 44384864)
-
(2006)
Journal of Virology
, vol.80
, Issue.17
, pp. 8521-8529
-
-
Norstrom, E.M.1
Mastrianni, J.A.2
-
38
-
-
4744351381
-
Slow Conformational Dynamics in the Hamster Prion Protein
-
DOI 10.1021/bi036123o
-
K. Kuwata, and Y.O. Kamatari T.L. James Slow conformational dynamics in the hamster prion protein Biochemistry 43 2004 4439 4446 (Pubitemid 38500572)
-
(2004)
Biochemistry
, vol.43
, Issue.15
, pp. 4439-4446
-
-
Kuwata, K.1
Kamatari, Y.O.2
Akasaka, K.3
James, T.L.4
-
39
-
-
34250681413
-
Diversity in prion protein oligomerization pathways results from domain expansion as revealed by hydrogen/deuterium exchange and disulfide linkage
-
DOI 10.1073/pnas.0607745104
-
F. Eghiaian, and T. Daubenfeld H. Rezaei Diversity in prion protein oligomerization pathways results from domain expansion as revealed by hydrogen/deuterium exchange and disulfide linkage Proc. Natl. Acad. Sci. USA 104 2007 7414 7419 (Pubitemid 47185920)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.18
, pp. 7414-7419
-
-
Eghiaian, F.1
Daubenfeld, T.2
Quenet, Y.3
Van Audenhaege, M.4
Bouin, A.-P.5
Van Der Rest, G.6
Grosclaude, J.7
Rezaei, H.8
-
41
-
-
0035814903
-
Local structural plasticity of the prion protein. Analysis of NMR relaxation dynamics
-
DOI 10.1021/bi002898a
-
J.H. Viles, and D. Donne P.E. Wright Local structural plasticity of the prion protein. Analysis of NMR relaxation dynamics Biochemistry 40 2001 2743 2753 (Pubitemid 32198276)
-
(2001)
Biochemistry
, vol.40
, Issue.9
, pp. 2743-2753
-
-
Viles, J.H.1
Donne, D.2
Kroon, G.3
Prusiner, S.B.4
Cohen, F.E.5
Dyson, H.J.6
Wright, P.E.7
-
42
-
-
33748176879
-
Observation of intermediate states of the human prion protein by high pressure NMR spectroscopy
-
N. Kachel, and W. Kremer H.R. Kalbitzer Observation of intermediate states of the human prion protein by high pressure NMR spectroscopy BMC Struct. Biol. 6 2006 16
-
(2006)
BMC Struct. Biol.
, vol.6
, pp. 16
-
-
Kachel, N.1
Kremer, W.2
Kalbitzer, H.R.3
-
43
-
-
34547947101
-
Species-specific differences in the intermediate states of human and Syrian hamster prion protein detected by high pressure NMR spectroscopy
-
DOI 10.1074/jbc.M701884200
-
W. Kremer, and N. Kachel H.R. Kalbitzer Species-specific differences in the intermediate states of human and Syrian hamster prion protein detected by high pressure NMR spectroscopy J. Biol. Chem. 282 2007 22689 22698 (Pubitemid 47267323)
-
(2007)
Journal of Biological Chemistry
, vol.282
, Issue.31
, pp. 22689-22698
-
-
Kremer, W.1
Kachel, N.2
Kuwata, K.3
Akasaka, K.4
Kalbitzer, H.R.5
-
44
-
-
62449203220
-
Crystal structure of human prion protein bound to a therapeutic antibody
-
S.V. Antonyuk, and C.R. Trevitt J. Collinge Crystal structure of human prion protein bound to a therapeutic antibody Proc. Natl. Acad. Sci. USA 106 2009 2554 2558
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 2554-2558
-
-
Antonyuk, S.V.1
Trevitt, C.R.2
Collinge, J.3
-
45
-
-
77956523964
-
The therapeutically anti-prion active antibody-fragment scFv-W226: Paramagnetic relaxation-enhanced NMR spectroscopy aided structure elucidation of the paratope-epitope interface
-
C. Mangels, and R. Kellner S. Schwarzinger The therapeutically anti-prion active antibody-fragment scFv-W226: paramagnetic relaxation-enhanced NMR spectroscopy aided structure elucidation of the paratope-epitope interface J. Biomol. Struct. Dyn. 28 2010 13 22
-
(2010)
J. Biomol. Struct. Dyn.
, vol.28
, pp. 13-22
-
-
Mangels, C.1
Kellner, R.2
Schwarzinger, S.3
-
46
-
-
0031787736
-
Prion protein fragments spanning helix 1 and both strands of β sheet (residues 125-170) show evidence for predominantly helical propensity by CD and NMR
-
DOI 10.1016/S1359-0278(98)00043-1
-
G.J. Sharman, and N. Kenward M.S. Searle Prion protein fragments spanning helix 1 and both strands of β sheet (residues 125-170) show evidence for predominantly helical propensity by CD and NMR Fold. Des. 3 1998 313 320 (Pubitemid 28494096)
-
(1998)
Folding and Design
, vol.3
, Issue.5
, pp. 313-320
-
-
Sharman, G.J.1
Kenward, N.2
Williams, H.E.3
Landon, M.4
Mayer, R.J.5
Searle, M.S.6
-
47
-
-
0037160126
-
Kinetic intermediate in the folding of human prion protein
-
DOI 10.1074/jbc.C200507200
-
A.C. Apetri, and W.K. Surewicz Kinetic intermediate in the folding of human prion protein J. Biol. Chem. 277 2002 44589 44592 (Pubitemid 36159046)
-
(2002)
Journal of Biological Chemistry
, vol.277
, Issue.47
, pp. 44589-44592
-
-
Apetri, A.C.1
Surewicz, W.K.2
-
48
-
-
73249121817
-
Unfolded-state structure and dynamics influence the fibril formation of human prion protein
-
C. Gerum, and R. Silvers H. Schwalbe Unfolded-state structure and dynamics influence the fibril formation of human prion protein Angew. Chem. Int. Ed. Engl. 48 2009 9452 9456
-
(2009)
Angew. Chem. Int. Ed. Engl.
, vol.48
, pp. 9452-9456
-
-
Gerum, C.1
Silvers, R.2
Schwalbe, H.3
-
49
-
-
0032806571
-
Structural mobility of the human prion protein probed by backbone hydrogen exchange
-
DOI 10.1038/11507
-
L.L. Hosszu, and N.J. Baxter J. Collinge Structural mobility of the human prion protein probed by backbone hydrogen exchange Nat. Struct. Biol. 6 1999 740 743 (Pubitemid 29360233)
-
(1999)
Nature Structural Biology
, vol.6
, Issue.8
, pp. 740-743
-
-
Hosszu, L.L.P.1
Baxter, N.J.2
Jackson, G.S.3
Power, A.4
Clarke, A.R.5
Waltho, J.P.6
Craven, C.J.7
Collinge, J.8
-
50
-
-
65649084891
-
Reversible monomer-oligomer transition in human prion protein
-
K. Sasaki, and J. Gaikwad K. Akasaka Reversible monomer-oligomer transition in human prion protein Prion 2 2008 118 122
-
(2008)
Prion
, vol.2
, pp. 118-122
-
-
Sasaki, K.1
Gaikwad, J.2
Akasaka, K.3
-
52
-
-
78649885501
-
Structural characterization of a misfolded intermediate populated during the folding process of a PDZ domain
-
S. Gianni, and Y. Ivarsson M. Vendruscolo Structural characterization of a misfolded intermediate populated during the folding process of a PDZ domain Nat. Struct. Mol. Biol. 17 2010 1431 1437
-
(2010)
Nat. Struct. Mol. Biol.
, vol.17
, pp. 1431-1437
-
-
Gianni, S.1
Ivarsson, Y.2
Vendruscolo, M.3
-
53
-
-
2342432162
-
The Effect of Disease-associated Mutations on the Folding Pathway of Human Prion Protein
-
DOI 10.1074/jbc.M313581200
-
A.C. Apetri, K. Surewicz, and W.K. Surewicz The effect of disease-associated mutations on the folding pathway of human prion protein J. Biol. Chem. 279 2004 18008 18014 (Pubitemid 38560570)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.17
, pp. 18008-18014
-
-
Apetri, A.C.1
Surewicz, K.2
Surewicz, W.K.3
-
54
-
-
37649000487
-
Molecular architecture of human prion protein amyloid: A parallel, in-register β-structure
-
N.J. Cobb, and F.D. Sönnichsen W.K. Surewicz Molecular architecture of human prion protein amyloid: a parallel, in-register β-structure Proc. Natl. Acad. Sci. USA 104 2007 18946 18951
-
(2007)
Proc. Natl. Acad. Sci. USA
, vol.104
, pp. 18946-18951
-
-
Cobb, N.J.1
Sönnichsen, F.D.2
Surewicz, W.K.3
-
56
-
-
33749574062
-
Prion protein helix1 promotes aggregation but is not converted into β-sheet
-
DOI 10.1074/jbc.
-
J. Watzlawik, and L. Skora M.L. Kramer Prion protein helix1 promotes aggregation but is not converted into β-sheet J. Biol. Chem. 281 2006 30242 30250 (Pubitemid 44537031)
-
(2006)
Journal of Biological Chemistry
, vol.281
, Issue.40
, pp. 30242-30250
-
-
Watzlawik, J.1
Skora, L.2
Frense, D.3
Griesinger, C.4
Zweckstetter, M.5
Schulz-Schaeffer, W.J.6
Kramer, M.L.7
-
58
-
-
33645228557
-
Putative aggregation initiation sites in prion protein
-
J. Ziegler, and C. Viehrig S. Schwarzinger Putative aggregation initiation sites in prion protein FEBS Lett. 580 2006 2033 2040
-
(2006)
FEBS Lett.
, vol.580
, pp. 2033-2040
-
-
Ziegler, J.1
Viehrig, C.2
Schwarzinger, S.3
-
59
-
-
69349100797
-
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
-
M. Bonomi, and D. Branduardi M. Parrinello PLUMED: A portable plugin for free-energy calculations with molecular dynamics Comput. Phys. Commun. 180 2009 1961 1972
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 1961-1972
-
-
Bonomi, M.1
Branduardi, D.2
Parrinello, M.3
-
60
-
-
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
-
61
-
-
70450194574
-
Accurate random coil chemical shifts from an analysis of loop regions in native states of proteins
-
A. De Simone, and A. Cavalli M. Vendruscolo Accurate random coil chemical shifts from an analysis of loop regions in native states of proteins J. Am. Chem. Soc. 131 2009 16332 16333
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 16332-16333
-
-
De Simone, A.1
Cavalli, A.2
Vendruscolo, M.3
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