-
1
-
-
0000597428
-
Two-dimensional Raman spectroscopy of vibrational interaction in liquids
-
Tokmakoff, A.; Lang, M. J.; Larsen, D. S.; Fleming, G. R.; Chernyak, V.; Mukamel, S. Two-dimensional Raman spectroscopy of vibrational interaction in liquids. Phys. Rev. Lett. 1997, 79, 2702-2705.
-
(1997)
Phys. Rev. Lett
, vol.79
, pp. 2702-2705
-
-
Tokmakoff, A.1
Lang, M.J.2
Larsen, D.S.3
Fleming, G.R.4
Chernyak, V.5
Mukamel, S.6
-
2
-
-
0000873587
-
Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitations
-
Mukamel, S. Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitations. Annu. Rev. Phys. Chem. 2000, 51, 691-729.
-
(2000)
Annu. Rev. Phys. Chem
, vol.51
, pp. 691-729
-
-
Mukamel, S.1
-
3
-
-
0036086576
-
Coherent multidimensional vibrational spectroscopy
-
Wright, J. C. Coherent multidimensional vibrational spectroscopy. Int. Rev. Phys. Chem. 2002, 21, 185-255.
-
(2002)
Int. Rev. Phys. Chem
, vol.21
, pp. 185-255
-
-
Wright, J.C.1
-
4
-
-
33947400829
-
Two-dimensional vibrational optical probes for peptide fast folding investigation
-
Zhuang, W.; Abramavicius, D.; Mukamel, S. Two-dimensional vibrational optical probes for peptide fast folding investigation. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 18934-18938.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A
, vol.103
, pp. 18934-18938
-
-
Zhuang, W.1
Abramavicius, D.2
Mukamel, S.3
-
5
-
-
0037037802
-
Nonlinear two-dimensional vibrational spectroscopy of peptides
-
Woutersen, S.; Hamm, P. Nonlinear two-dimensional vibrational spectroscopy of peptides. J. Phys.: Condens. Matter 2002, 14, 1035-1062.
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 1035-1062
-
-
Woutersen, S.1
Hamm, P.2
-
6
-
-
2442589387
-
Signatures of β-sheet secondary structures in linear and two-dimensional infrared spectroscopy
-
Cheatum, C. M.; Tokmakoff, A.; Knoester, J. Signatures of β-sheet secondary structures in linear and two-dimensional infrared spectroscopy. J. Chem. Phys. 2004, 120, 8201-8215.
-
(2004)
J. Chem. Phys
, vol.120
, pp. 8201-8215
-
-
Cheatum, C.M.1
Tokmakoff, A.2
Knoester, J.3
-
7
-
-
3042546365
-
Two-dimensional infrared spectroscopy of antiparallel β-sheet secondary structure
-
Demirdöven, N.; Cheatum, C. M.; Chung, H. S.; Khalil, M.; Knoester, J.; Tokmakoff, A. Two-dimensional infrared spectroscopy of antiparallel β-sheet secondary structure. J. Am. Chem. Soc. 2004, 126, 7981-7990.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 7981-7990
-
-
Demirdöven, N.1
Cheatum, C.M.2
Chung, H.S.3
Khalil, M.4
Knoester, J.5
Tokmakoff, A.6
-
8
-
-
6344235637
-
Nonlinear infrared spectroscopy of protein conformational change during thermal unfolding
-
Chung, H. S.; Khalil, M.; Tokmakoff, A. Nonlinear infrared spectroscopy of protein conformational change during thermal unfolding. J. Phys. Chem. B 2004, 108, 15332-15343.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 15332-15343
-
-
Chung, H.S.1
Khalil, M.2
Tokmakoff, A.3
-
9
-
-
14144250238
-
Conformational changes during the nanosecond to millisecond unfolding of ubiquitin
-
Chung, H. S.; Khalil, M.; Smith, A. W.; Ganim, Z.; Tokmakoff, A. Conformational changes during the nanosecond to millisecond unfolding of ubiquitin. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 612-617.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 612-617
-
-
Chung, H.S.1
Khalil, M.2
Smith, A.W.3
Ganim, Z.4
Tokmakoff, A.5
-
10
-
-
35449007703
-
Transient 2D IR spectroscopy of ubiquitin unfolding dynamics
-
Chung, H. S.; Ganim, Z.; Jones, K. C.; Tokmakoff, A. Transient 2D IR spectroscopy of ubiquitin unfolding dynamics. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 14237-14242.
-
(2007)
Proc. Natl. Acad. Sci. U.S.A
, vol.104
, pp. 14237-14242
-
-
Chung, H.S.1
Ganim, Z.2
Jones, K.C.3
Tokmakoff, A.4
-
11
-
-
0141794723
-
Inter and intrastrand vibrational coupling in DNA studied with heterodyned 2D-IR spectroscopy
-
Krummel, A. T.; Mukherjee, P.; Zanni, M. T. Inter and intrastrand vibrational coupling in DNA studied with heterodyned 2D-IR spectroscopy. J. Phys. Chem. B 2003, 107, 9165-9169.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 9165-9169
-
-
Krummel, A.T.1
Mukherjee, P.2
Zanni, M.T.3
-
12
-
-
23844509509
-
Chemical exchange 2D IR of hydrogen-bond making and breaking
-
Kim, Y. S.; Hochstrasser, R. M. Chemical exchange 2D IR of hydrogen-bond making and breaking. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 11185-11190.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 11185-11190
-
-
Kim, Y.S.1
Hochstrasser, R.M.2
-
13
-
-
23944499045
-
Ultrafast dynamics of solute-solvent complexation observed at thermal equilibrium in real time
-
Zheng, J. R.; Kwak, K.; Asbury, J.; Chen, X.; Piletic, I. R.; Fayer, M. D. Ultrafast dynamics of solute-solvent complexation observed at thermal equilibrium in real time. Science 2005, 309, 1338-1343.
-
(2005)
Science
, vol.309
, pp. 1338-1343
-
-
Zheng, J.R.1
Kwak, K.2
Asbury, J.3
Chen, X.4
Piletic, I.R.5
Fayer, M.D.6
-
14
-
-
1442312858
-
Water dynamics: Vibrational echo correlation spectroscopy and comparison to molecular dynamics simulations
-
Asbury, J. B.; Steinel, T.; Stromberg, C.; Corcelli, S. A.; Lawrence, C. P.; Skinner, J. L.; Fayer, M. D. Water dynamics: Vibrational echo correlation spectroscopy and comparison to molecular dynamics simulations. J. Phys. Chem. A 2004, 108, 1107-1119.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 1107-1119
-
-
Asbury, J.B.1
Steinel, T.2
Stromberg, C.3
Corcelli, S.A.4
Lawrence, C.P.5
Skinner, J.L.6
Fayer, M.D.7
-
15
-
-
24944495371
-
Hydrogen bonds in liquid water are broken only fleetingly
-
Eaves, J. D.; Loparo, J. J.; Fecko, C. J.; Roberts, S. T.; Tokmakoff, A.; Geissler, P. L. Hydrogen bonds in liquid water are broken only fleetingly. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 13019-13022.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 13019-13022
-
-
Eaves, J.D.1
Loparo, J.J.2
Fecko, C.J.3
Roberts, S.T.4
Tokmakoff, A.5
Geissler, P.L.6
-
16
-
-
0942265477
-
Labeling vibrations by light: Ultrafast transient 2D-IR spectroscopy tracks vibrational modes during photoinduced charge transfer
-
Bredenbeck, J.; Helbing, J.; Hamm, P. Labeling vibrations by light: Ultrafast transient 2D-IR spectroscopy tracks vibrational modes during photoinduced charge transfer. J. Am. Chem. Soc. 2004, 126, 990-991.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 990-991
-
-
Bredenbeck, J.1
Helbing, J.2
Hamm, P.3
-
17
-
-
33751313515
-
Watching hydrogen-bond dynamics in a beta-turn by transient two-dimensional infrared spectroscopy
-
Kolano, C.; Helbing, J.; Kozinski, M.; Sander, W.; Hamm, P. Watching hydrogen-bond dynamics in a beta-turn by transient two-dimensional infrared spectroscopy. Nature 2006, 444, 469-472.
-
(2006)
Nature
, vol.444
, pp. 469-472
-
-
Kolano, C.1
Helbing, J.2
Kozinski, M.3
Sander, W.4
Hamm, P.5
-
18
-
-
0038784714
-
Coherent 2D IR spectroscopy: Molecular structure and dynamics in solution
-
Khalil, M.; Demirdöven, N.; Tokmakoff, A. Coherent 2D IR spectroscopy: molecular structure and dynamics in solution. J. Phys. Chem. A 2003, 107, 5258-5279.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 5258-5279
-
-
Khalil, M.1
Demirdöven, N.2
Tokmakoff, A.3
-
19
-
-
0037011711
-
Correlated vibrational dynamics revealed by two-dimensional infrared spectroscopy
-
Demirdöven, N.; Khalil, M.; Tokmakoff, A. Correlated vibrational dynamics revealed by two-dimensional infrared spectroscopy. Phys. Rev. Lett. 2002, 89, 237401.
-
(2002)
Phys. Rev. Lett
, vol.89
, pp. 237401
-
-
Demirdöven, N.1
Khalil, M.2
Tokmakoff, A.3
-
20
-
-
0001326710
-
Structure of the amide I band of peptides measured by femtosecond nonlinear-infrared spectroscopy
-
Hamm, P.; Lim, M.; Hochstrasser, R. M. Structure of the amide I band of peptides measured by femtosecond nonlinear-infrared spectroscopy. J. Phys. Chem. B 1998, 102, 6123-6138.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 6123-6138
-
-
Hamm, P.1
Lim, M.2
Hochstrasser, R.M.3
-
21
-
-
0036880493
-
What vibrations tell us about proteins
-
Barth, A.; Zscherp, C. What vibrations tell us about proteins. Q. Rev. Biophys. 2002, 35, 369-430.
-
(2002)
Q. Rev. Biophys
, vol.35
, pp. 369-430
-
-
Barth, A.1
Zscherp, C.2
-
22
-
-
0002271869
-
Application of the three-dimensional doorway-state theory to analyse the Amide-I infrared and of globular proteins
-
Torii, H.; Tasumi, M. Application of the three-dimensional doorway-state theory to analyse the Amide-I infrared and of globular proteins. J. Chem. Phys. 1992, 97, 92-98.
-
(1992)
J. Chem. Phys
, vol.97
, pp. 92-98
-
-
Torii, H.1
Tasumi, M.2
-
23
-
-
0037044503
-
Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin
-
Choi, J. H.; Ham, S.; Cho, M. Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin. J. Chem. Phys. 2002, 117, 6821-6832.
-
(2002)
J. Chem. Phys
, vol.117
, pp. 6821-6832
-
-
Choi, J.H.1
Ham, S.2
Cho, M.3
-
24
-
-
33644767320
-
Visualization and characterization of the infrared active amide I vibrations of proteins
-
Chung, H. S.; Tokmakoff, A. Visualization and characterization of the infrared active amide I vibrations of proteins. J. Phys. Chem. B 2006, 110, 2888-2898.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 2888-2898
-
-
Chung, H.S.1
Tokmakoff, A.2
-
26
-
-
25444506927
-
Residual native structure in a thermally denatured β-hairpin
-
Smith, A. W.; Chung, H. S.; Ganim, Z.; Tokmakoff, A. Residual native structure in a thermally denatured β-hairpin. J. Phys. Chem. B 2005, 109, 17025-17027.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 17025-17027
-
-
Smith, A.W.1
Chung, H.S.2
Ganim, Z.3
Tokmakoff, A.4
-
27
-
-
4243898367
-
Perturbation treatment of the characteristic vibrations of polypeptide chains in various configurations
-
Miyazawa, T. Perturbation treatment of the characteristic vibrations of polypeptide chains in various configurations. J. Chem. Phys. 1960, 32, 1647-1652.
-
(1960)
J. Chem. Phys
, vol.32
, pp. 1647-1652
-
-
Miyazawa, T.1
-
28
-
-
0016721511
-
Transition dipole coupling in amide I modes of β polypeptides
-
Moore, W. H.; Krimm, S. Transition dipole coupling in amide I modes of β polypeptides. Proc. Natl. Acad. Sci. U.S.A. 1975, 72, 4933-4935.
-
(1975)
Proc. Natl. Acad. Sci. U.S.A
, vol.72
, pp. 4933-4935
-
-
Moore, W.H.1
Krimm, S.2
-
29
-
-
36449001245
-
Model calculations on the amide-I infrared bands of globular proteins
-
Torii, H.; Tasumi, M. Model calculations on the amide-I infrared bands of globular proteins. J. Chem. Phys. 1992, 96, 3379-3387.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 3379-3387
-
-
Torii, H.1
Tasumi, M.2
-
30
-
-
0347130872
-
Characteristics of the two-dimensional infrared spectroscopy of helices from approximate simulations and analytic models
-
Wang, J.; Hochstrasser, R. M. Characteristics of the two-dimensional infrared spectroscopy of helices from approximate simulations and analytic models. Chem. Phys. 2004, 297, 195-219.
-
(2004)
Chem. Phys
, vol.297
, pp. 195-219
-
-
Wang, J.1
Hochstrasser, R.M.2
-
31
-
-
19944365233
-
Collective oscillations and the linear and two-dimensional infrared spectra of inhomogeneous β-sheets
-
Dijkstra, A. G.; Knoester, J. Collective oscillations and the linear and two-dimensional infrared spectra of inhomogeneous β-sheets. J. Phys. Chem. B 2005, 109, 9787-9798.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9787-9798
-
-
Dijkstra, A.G.1
Knoester, J.2
-
32
-
-
0001934802
-
Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di and tripeptides and considerations on the confirmation of the extended helix
-
Torii, H.; Tasumi, M. Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di and tripeptides and considerations on the confirmation of the extended helix. J. Raman. Spectrosc. 1998, 29, 81-86.
-
(1998)
J. Raman. Spectrosc
, vol.29
, pp. 81-86
-
-
Torii, H.1
Tasumi, M.2
-
33
-
-
0036088423
-
Coupling of the amide I modes of the glycine dipeptide
-
Hamm, P.; Woutersen, S. Coupling of the amide I modes of the glycine dipeptide. Bull. Chem. Soc. Jpn. 2002, 75, 985-988.
-
(2002)
Bull. Chem. Soc. Jpn
, vol.75
, pp. 985-988
-
-
Hamm, P.1
Woutersen, S.2
-
34
-
-
0038637862
-
Amide I modes in N-methylacetamide dimer and glycine dipeptide analogue: Diagonal force constant
-
Ham, S.; Cho, M. Amide I modes in N-methylacetamide dimer and glycine dipeptide analogue: Diagonal force constant. J. Chem. Phys. 2003, 118, 6915-6922.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 6915-6922
-
-
Ham, S.1
Cho, M.2
-
35
-
-
84961981133
-
Empirical modeling of the peptide amide I band IR intensity in water solution
-
Bour, P.; Keiderling, T. A. Empirical modeling of the peptide amide I band IR intensity in water solution. J. Chem. Phys. 2003, 119, 11253-11262.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 11253-11262
-
-
Bour, P.1
Keiderling, T.A.2
-
36
-
-
9744273194
-
Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches
-
Schmidt, J. R.; Corcelli, S. A.; Skinner, J. L. Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches. J. Chem. Phys. 2004, 121, 8887-8896.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 8887-8896
-
-
Schmidt, J.R.1
Corcelli, S.A.2
Skinner, J.L.3
-
37
-
-
34548087522
-
Ab initio-based exciton model of amide I vibrations in peptides: Definition, conformational dependence, and transferability
-
Gorbunov, R. D.; Kosov, D. S.; Stock, G. Ab initio-based exciton model of amide I vibrations in peptides: Definition, conformational dependence, and transferability. J. Chem. Phys. 2005, 122, 224904.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 224904
-
-
Gorbunov, R.D.1
Kosov, D.S.2
Stock, G.3
-
38
-
-
31544436644
-
-
Jansen, T. l. C.; Knoester, J. A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy. J. Chem. Phys. 2006, 124, 044502.
-
Jansen, T. l. C.; Knoester, J. A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy. J. Chem. Phys. 2006, 124, 044502.
-
-
-
-
39
-
-
27744526374
-
Electrostatic DFT map for the complete vibrational amide band of NMA
-
Hayashi, T.; Zhuang, W.; Mukamel, S. Electrostatic DFT map for the complete vibrational amide band of NMA. J. Phys. Chem. A 2006, 109, 9747-9759.
-
(2006)
J. Phys. Chem. A
, vol.109
, pp. 9747-9759
-
-
Hayashi, T.1
Zhuang, W.2
Mukamel, S.3
-
40
-
-
33746813977
-
Modeling the amide I bands of small peptides
-
Jansen, T. l. C.; Dijkstra, A. G.; Watson, T. M.; Hirst, J. D.; Knoester, J. Modeling the amide I bands of small peptides. J. Chem. Phys. 2006, 125, 044312.
-
(2006)
J. Chem. Phys
, vol.125
, pp. 044312
-
-
Jansen, T.L.C.1
Dijkstra, A.G.2
Watson, T.M.3
Hirst, J.D.4
Knoester, J.5
-
41
-
-
33749438763
-
Spectral signatures of heterogeneous protein ensembles revealed by MD simulations of 2DIR spectra
-
Ganim, Z.; Tokmakoff, A. Spectral signatures of heterogeneous protein ensembles revealed by MD simulations of 2DIR spectra. Biophys. J. 2006, 91, 2636-2646.
-
(2006)
Biophys. J
, vol.91
, pp. 2636-2646
-
-
Ganim, Z.1
Tokmakoff, A.2
-
42
-
-
10844273996
-
Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine
-
Jansen, T. l. C.; Zhuang, W.; Mukamel, S. Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine. J. Chem. Phys. 2004, 121, 10577-10598.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 10577-10598
-
-
Jansen, T.L.C.1
Zhuang, W.2
Mukamel, S.3
-
43
-
-
33644914712
-
Simulation protocols for coherent femtosecond vibrational spectra of peptides
-
Zhuang, W.; Abramavicius, D.; Hayashi, T.; Mukamel, S. Simulation protocols for coherent femtosecond vibrational spectra of peptides. J. Phys. Chem. B 2006, 110, 3362-3374.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3362-3374
-
-
Zhuang, W.1
Abramavicius, D.2
Hayashi, T.3
Mukamel, S.4
-
44
-
-
33751216142
-
Nonadiabatic effects in the two-dimensional infrared spectra of peptides: Application to alanine dipeptide
-
Jansen, T. L. C.; Knoester, J. Nonadiabatic effects in the two-dimensional infrared spectra of peptides: Application to alanine dipeptide. J. Phys. Chem. B 2006, 110, 22910-22916.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 22910-22916
-
-
Jansen, T.L.C.1
Knoester, J.2
-
45
-
-
33847691555
-
Computational spectroscopy of ubiquitin: Comparison between theory and experiments
-
Choi, J.-H.; Lee, H.; Lee, K.-K.; Hahn, S.; Cho, M. Computational spectroscopy of ubiquitin: Comparison between theory and experiments. J. Chem. Phys. 2007, 126, 045102.
-
(2007)
J. Chem. Phys
, vol.126
, pp. 045102
-
-
Choi, J.-H.1
Lee, H.2
Lee, K.-K.3
Hahn, S.4
Cho, M.5
-
46
-
-
34547251842
-
Transient two-dimensional IR spectrometer for probing nanosecond temperature-jump kinetics
-
Chung, H. S.; Khalil, M.; Smith, A. W.; Tokmakoff, A. Transient two-dimensional IR spectrometer for probing nanosecond temperature-jump kinetics. Rev. Sci. Instrum. 2007, 78, 063101.
-
(2007)
Rev. Sci. Instrum
, vol.78
, pp. 063101
-
-
Chung, H.S.1
Khalil, M.2
Smith, A.W.3
Tokmakoff, A.4
-
47
-
-
0028947257
-
Funnels, pathways, and the energy landscape of protein folding: A synthesis
-
Bryngelson, J. D.; Onuchic, J. N.; Socci, N. D.; Wolynes, P. G. Funnels, pathways, and the energy landscape of protein folding: A synthesis. Proteins: Struct. Funct. Genet. 1995, 21, 167-195.
-
(1995)
Proteins: Struct. Funct. Genet
, vol.21
, pp. 167-195
-
-
Bryngelson, J.D.1
Onuchic, J.N.2
Socci, N.D.3
Wolynes, P.G.4
-
48
-
-
33746102627
-
Atom-by-atom analysis of global downhill protein folding
-
Sadqi, M.; Fushman, D.; Munoz, V. Atom-by-atom analysis of global downhill protein folding. Nature 2006, 442, 317-321.
-
(2006)
Nature
, vol.442
, pp. 317-321
-
-
Sadqi, M.1
Fushman, D.2
Munoz, V.3
-
49
-
-
0031965674
-
Molecular dynamics simulations of hydrophobic collapse of ubiquitin
-
Alonso, D. O. V.; Daggett, V. Molecular dynamics simulations of hydrophobic collapse of ubiquitin. Protein Sci. 1998, 7, 860-874.
-
(1998)
Protein Sci
, vol.7
, pp. 860-874
-
-
Alonso, D.O.V.1
Daggett, V.2
-
50
-
-
43949092430
-
Two-Dimensional Infrared Spectroscopy of Photoswitchable Peptides
-
Hamm, P.; Helbing, J.; Bredenbeck, J. Two-Dimensional Infrared Spectroscopy of Photoswitchable Peptides. Annu. Rev. Phys. Chem. 2008, 59, 291-317.
-
(2008)
Annu. Rev. Phys. Chem
, vol.59
, pp. 291-317
-
-
Hamm, P.1
Helbing, J.2
Bredenbeck, J.3
-
51
-
-
33846090722
-
Structural disorder of the CD3ζ transmembrane domain studied with 2D IR spectroscopy and molecular dynamics simulations
-
Mukherjee, P.; Kass, I.; Arkin, I. T.; Zanni, M. T. Structural disorder of the CD3ζ transmembrane domain studied with 2D IR spectroscopy and molecular dynamics simulations. J. Phys. Chem. B 2006, 110, 24740-24749.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 24740-24749
-
-
Mukherjee, P.1
Kass, I.2
Arkin, I.T.3
Zanni, M.T.4
-
52
-
-
33646238700
-
Local structure of β-hairpin isotopomers by FTIR, 2D IR, and ab initio theory
-
Wang, J. P.; Chen, J. X.; Hochstrasser, R. M. Local structure of β-hairpin isotopomers by FTIR, 2D IR, and ab initio theory. J. Phys. Chem. B 2006, 110, 7545-7555.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 7545-7555
-
-
Wang, J.P.1
Chen, J.X.2
Hochstrasser, R.M.3
-
53
-
-
35648955156
-
Probing local structural events in β-hairpin unfolding with transient nonlinear infrared spectroscopy
-
Smith, A. W.; Tokmakoff, A. Probing local structural events in β-hairpin unfolding with transient nonlinear infrared spectroscopy. Angew. Chem., Int. Ed. 2007, 46, 7984-7987.
-
(2007)
Angew. Chem., Int. Ed
, vol.46
, pp. 7984-7987
-
-
Smith, A.W.1
Tokmakoff, A.2
-
54
-
-
33750939049
-
Amide vibrations are delocalized across the hydrophobic interface of a transmembrane helix dimer
-
Fang, C.; Senes, A.; Cristian, L.; DeGrado, W. F.; Hochstrasser, R. M. Amide vibrations are delocalized across the hydrophobic interface of a transmembrane helix dimer. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 16740-16745.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A
, vol.103
, pp. 16740-16745
-
-
Fang, C.1
Senes, A.2
Cristian, L.3
DeGrado, W.F.4
Hochstrasser, R.M.5
-
55
-
-
33845918731
-
Water penetration into protein secondary structure revealed by hydrogen-deuterium exchange two-dimensional infrared spectroscopy
-
DeFlores, L. P.; Tokmakoff, A. Water penetration into protein secondary structure revealed by hydrogen-deuterium exchange two-dimensional infrared spectroscopy. J. Am. Chem. Soc. 2006, 128, 16520-16521.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 16520-16521
-
-
DeFlores, L.P.1
Tokmakoff, A.2
-
56
-
-
0038286180
-
Dual-frequency 2D-IR spectroscopy heterodyned photon echo of the peptide bond
-
Rubtsov, I. V.; Wang, J.; Hochstrasser, R. M. Dual-frequency 2D-IR spectroscopy heterodyned photon echo of the peptide bond. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 5601-5606.
-
(2003)
Proc. Natl. Acad. Sci. U.S.A
, vol.100
, pp. 5601-5606
-
-
Rubtsov, I.V.1
Wang, J.2
Hochstrasser, R.M.3
-
57
-
-
33749615287
-
The anharmonic vibrational potential and relaxation pathways of the amide I and II modes of N-methylacetamide
-
DeFlores, L. P.; Ganim, Z.; Ackley, S. F.; Chung, H. S.; Tokmakoff, A. The anharmonic vibrational potential and relaxation pathways of the amide I and II modes of N-methylacetamide. J. Phys. Chem. B 2006, 110, 18973-18980.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 18973-18980
-
-
DeFlores, L.P.1
Ganim, Z.2
Ackley, S.F.3
Chung, H.S.4
Tokmakoff, A.5
-
58
-
-
0344962370
-
Validation of an all-atom protein force field: From dipeptides to larger peptides
-
Gnanakaran, S.; Garcia, A. E. Validation of an all-atom protein force field: From dipeptides to larger peptides. J. Phys. Chem. B 2003, 107, 12555-12557.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 12555-12557
-
-
Gnanakaran, S.1
Garcia, A.E.2
|