-
1
-
-
0027441950
-
Essential dynamics of proteins
-
Amadei, A., Linssen, A. B. & Berendsen, H. J. 1993 Essential dynamics of proteins. Proteins 17, 412-425.
-
(1993)
Proteins
, vol.17
, pp. 412-425
-
-
Amadei, A.1
Linssen, A.B.2
Berendsen, H.J.3
-
2
-
-
0027369863
-
Multiple hydration layers in cubic insulin crystals
-
Badger, J. 1993 Multiple hydration layers in cubic insulin crystals. Biophys. J. 65, 1656-1659.
-
(1993)
Biophys. J.
, vol.65
, pp. 1656-1659
-
-
Badger, J.1
-
4
-
-
0028964325
-
Neutron-diffraction analysis of the solvent accessible volume in cubic insulin crystals
-
Badger, J., Kapulsky, A., Caspar, D. L. D. & Korzun, R. 1995 Neutron-diffraction analysis of the solvent accessible volume in cubic insulin crystals. Nature Struct. Biol. 2, 77-80.
-
(1995)
Nature Struct. Biol.
, vol.2
, pp. 77-80
-
-
Badger, J.1
Kapulsky, A.2
Caspar, D.L.D.3
Korzun, R.4
-
5
-
-
0033567092
-
Protein, lipid and water organization in bacteriorhodopsin crystals: A molecular view of the purple membrane at 1.9 Å resolution
-
Belrhali, H., Nollert, P., Royant, A., Menzel, C., Rosenbusch, J. P., Landau, E. M. & Pebay, E. P. 1999 Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 Å resolution. Structure 7, 909-917.
-
(1999)
Structure
, vol.7
, pp. 909-917
-
-
Belrhali, H.1
Nollert, P.2
Royant, A.3
Menzel, C.4
Rosenbusch, J.P.5
Landau, E.M.6
Pebay, E.P.7
-
6
-
-
0035118232
-
Protein flexibility from the dynamical transition: A force constant analysis
-
Bicout, D. J. & Zaccai, G. 2001 Protein flexibility from the dynamical transition: a force constant analysis. Biophys. J. 80, 1115-1123.
-
(2001)
Biophys. J.
, vol.80
, pp. 1115-1123
-
-
Bicout, D.J.1
Zaccai, G.2
-
7
-
-
0034257988
-
Glasslike dynamical behavior of the plastocyanin hydration water
-
Bizzarri, A. R., Paciaroni, A. & Cannistraro, S. 2000 Glasslike dynamical behavior of the plastocyanin hydration water. Phys. Rev. E 62, 3991-3999.
-
(2000)
Phys. Rev. E
, vol.62
, pp. 3991-3999
-
-
Bizzarri, A.R.1
Paciaroni, A.2
Cannistraro, S.3
-
8
-
-
0033135301
-
Quasi-Laue neu iron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme
-
Bon, C., Lehmann, M. S. & Wilkinson, C. 1999 Quasi-Laue neu iron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme. Acta Crystall. D 55, 978-987.
-
(1999)
Acta Crystall. D
, vol.55
, pp. 978-987
-
-
Bon, C.1
Lehmann, M.S.2
Wilkinson, C.3
-
9
-
-
0000864755
-
High-resolution neutron study of vitamin-B12 coenzyme at 15 K - Solvent structure
-
Bouquiere, J. P., Finney, J. L. & Savage, H. F. J. 1994 High-resolution neutron study of vitamin-B12 coenzyme at 15 K - solvent structure. Acta Crystall. B 50, 566-578.
-
(1994)
Acta Crystall. B
, vol.50
, pp. 566-578
-
-
Bouquiere, J.P.1
Finney, J.L.2
Savage, H.F.J.3
-
10
-
-
84986512474
-
CHARMM: A program for macromolecular energy minimization and dynamics calculations
-
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. & Karplus, M. 1983 CHARMM: a program for macromolecular energy minimization and dynamics calculations. J. Comput. Chem. 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
11
-
-
0027304152
-
Hydration of proteins - A comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin-inhibitor with theoretical-model calculations
-
Brunne, R. M., Liepinsh, E., Otting, G., Wuethrich, K. & van Gunsteren, W. F. 1993 Hydration of proteins - a comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin-inhibitor with theoretical-model calculations. J. Mol. Biol. 231, 1040-1048.
-
(1993)
J. Mol. Biol.
, vol.231
, pp. 1040-1048
-
-
Brunne, R.M.1
Liepinsh, E.2
Otting, G.3
Wuethrich, K.4
Van Gunsteren, W.F.5
-
12
-
-
0030038545
-
Direct observation of protein solvation and discrete disorder with experimental crystallographic phases
-
Burling, F. T., Weis, W. I., Flaherty, K. M. & Brunger, A. T. 1996 Direct observation of protein solvation and discrete disorder with experimental crystallographic phases. Science 271, 72-77.
-
(1996)
Science
, vol.271
, pp. 72-77
-
-
Burling, F.T.1
Weis, W.I.2
Flaherty, K.M.3
Brunger, A.T.4
-
13
-
-
0036722914
-
Dynamic transition in lysozyme: Role of a solvent
-
Caliskan, G., Kisliuk, A. & Sokolov, A. P. 2002 Dynamic transition in lysozyme: role of a solvent. J. Non-Crystall. Sol. 307-310, 868-873.
-
(2002)
J. Non-Crystall. Sol.
, vol.307-310
, pp. 868-873
-
-
Caliskan, G.1
Kisliuk, A.2
Sokolov, A.P.3
-
14
-
-
0032537184
-
Surface topography dependence of biomolecular hydrophobic hydration
-
Cheng, Y. K. & Rossky, P. J. 1998 Surface topography dependence of biomolecular hydrophobic hydration. Nature 392, 696-699.
-
(1998)
Nature
, vol.392
, pp. 696-699
-
-
Cheng, Y.K.1
Rossky, P.J.2
-
15
-
-
0033033560
-
Hydrophobic hydration of amphipathic peptides
-
Cheng, Y. K., Sheu, W. S. & Rossky, P. J. 1999 Hydrophobic hydration of amphipathic peptides. Biophys. J. 78, 1734-1743.
-
(1999)
Biophys. J.
, vol.78
, pp. 1734-1743
-
-
Cheng, Y.K.1
Sheu, W.S.2
Rossky, P.J.3
-
16
-
-
0000668262
-
Dynamics of the iron-containing core in crystals of the iron-storage protein, ferritin, through Mossbauer spectroscopy
-
Cohen, S. G., Bauminger, E. R., Nowik, I., Ofer, S. & Yariv, J. 1981 Dynamics of the iron-containing core in crystals of the iron-storage protein, ferritin, through Mossbauer spectroscopy. Phys. Rev. Lett. 46, 1244-1248.
-
(1981)
Phys. Rev. Lett.
, vol.46
, pp. 1244-1248
-
-
Cohen, S.G.1
Bauminger, E.R.2
Nowik, I.3
Ofer, S.4
Yariv, J.5
-
17
-
-
0033051987
-
Harmonic behavior of trehalose-coated carbon-monoxy-myoglobin at high temperature
-
Cordone, L., Ferrand, M., Vitrano, E. & Zaccai, G. 1999 Harmonic behavior of trehalose-coated carbon-monoxy-myoglobin at high temperature. Biophys. J. 76, 1043-1047.
-
(1999)
Biophys. J.
, vol.76
, pp. 1043-1047
-
-
Cordone, L.1
Ferrand, M.2
Vitrano, E.3
Zaccai, G.4
-
18
-
-
0035138648
-
A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method
-
Cui, Q., Elstner, M., Kaxiras, E., Frauenheim, T. & Karplus, M. 2001 A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method. J. Phys. Chem. B 105, 569-585.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 569-585
-
-
Cui, Q.1
Elstner, M.2
Kaxiras, E.3
Frauenheim, T.4
Karplus, M.5
-
19
-
-
0031784421
-
Enzyme activity below the dynamical transition at 220 K
-
Daniel, R. M., Smith, J. C., Ferrand, M., Héry, S., Dunn, R. & Finney, J. L. 1998 Enzyme activity below the dynamical transition at 220 K. Biophys. J. 75, 2504-2507.
-
(1998)
Biophys. J.
, vol.75
, pp. 2504-2507
-
-
Daniel, R.M.1
Smith, J.C.2
Ferrand, M.3
Héry, S.4
Dunn, R.5
Finney, J.L.6
-
20
-
-
0032863425
-
Enzyme dynamics and activity: Time-scale dependence of dynamical transitions in glutamate dehydrogenase solution
-
Daniel, R. M., Finney, J. L., Réat, V., Dunn, R., Ferrand, M. & Smith, J. C. 1999 Enzyme dynamics and activity: time-scale dependence of dynamical transitions in glutamate dehydrogenase solution. Biophys. J. 77, 2184-2190.
-
(1999)
Biophys. J.
, vol.77
, pp. 2184-2190
-
-
Daniel, R.M.1
Finney, J.L.2
Réat, V.3
Dunn, R.4
Ferrand, M.5
Smith, J.C.6
-
21
-
-
0041852853
-
The role of dynamics in enzyme activity
-
Daniel, R. M., Dunn, R. V., Finney, J. L. & Smith, J. C. 2003 The role of dynamics in enzyme activity. A. Rev. Biophys. Biomol. Struct. 32, 69-92.
-
(2003)
A. Rev. Biophys. Biomol. Struct.
, vol.32
, pp. 69-92
-
-
Daniel, R.M.1
Dunn, R.V.2
Finney, J.L.3
Smith, J.C.4
-
22
-
-
0024976853
-
Dynamical transition of myoglobin revealed by inelastic neutron scattering
-
Doster, W., Cusack, S. & Petry, W. 1989 Dynamical transition of myoglobin revealed by inelastic neutron scattering. Nature 337, 754-756.
-
(1989)
Nature
, vol.337
, pp. 754-756
-
-
Doster, W.1
Cusack, S.2
Petry, W.3
-
23
-
-
0001706226
-
Dynamic instability of liquidlike motions in a globular protein observed by inelastic neutron scattering
-
Doster, W., Cusack, S. & Petry, W. 1990 Dynamic instability of liquidlike motions in a globular protein observed by inelastic neutron scattering. Phys. Rev. Lett. 65, 1080-1083.
-
(1990)
Phys. Rev. Lett.
, vol.65
, pp. 1080-1083
-
-
Doster, W.1
Cusack, S.2
Petry, W.3
-
24
-
-
0033592726
-
High-resolution X-ray structure of an early intermediate in the bacteriorhodopsin photocycle
-
Edman, K., Nollert, P., Royant, A., Belrhali, H., Peyroula, E. P., Hajdu, J., Neutze, R. & Landau, E. M. 1999 High-resolution X-ray structure of an early intermediate in the bacteriorhodopsin photocycle. Nature 401, 822-826.
-
(1999)
Nature
, vol.401
, pp. 822-826
-
-
Edman, K.1
Nollert, P.2
Royant, A.3
Belrhali, H.4
Peyroula, E.P.5
Hajdu, J.6
Neutze, R.7
Landau, E.M.8
-
25
-
-
1542779956
-
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
-
Elstner, M., Porezag, D., Jungnickel, G., Elsner, J., Haugk, M., Frauenheim, Th., Suhai, S. & Seifert, G. 1998 Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties. Phys. Rev. B 58, 7260-7268.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 7260-7268
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Haugk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
26
-
-
0027491027
-
Thermal motions and function of bacteriorhodopsin in purple membranes: Effects of temperature and hydration studied by neutron scattering
-
Ferrand, M., Dianoux, A. J., Petry, W. & Zaccai, G. 1993 Thermal motions and function of bacteriorhodopsin in purple membranes: effects of temperature and hydration studied by neutron scattering. Proc. Natl Acad. Sci. USA 90, 9668-9672.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 9668-9672
-
-
Ferrand, M.1
Dianoux, A.J.2
Petry, W.3
Zaccai, G.4
-
27
-
-
84986513644
-
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
-
Field, M. J., Bash, P. A. & Karplus, M. 1990 A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations. J. Comput. Chem. 11, 700-733.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 700-733
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
28
-
-
0001414579
-
Water perturbation close to nonpolar groups in aqueous solutions
-
Finney, J. L., Soper, A. K. & Turner, J. Z. 1993 Water perturbation close to nonpolar groups in aqueous solutions. Pure Appl. Chem. 65, 2521-2526.
-
(1993)
Pure Appl. Chem.
, vol.65
, pp. 2521-2526
-
-
Finney, J.L.1
Soper, A.K.2
Turner, J.Z.3
-
29
-
-
0000231955
-
Conjugate peak refinement: An algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
-
Fischer, S. & Karplus, M. 1992 Conjugate peak refinement: an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom. Chem. Phys. Lett. 194, 252-261.
-
(1992)
Chem. Phys. Lett.
, vol.194
, pp. 252-261
-
-
Fischer, S.1
Karplus, M.2
-
30
-
-
0001455821
-
Rotation of structural water inside a protein: Calculation of the rate and vibrational entropy of activation
-
Fischer, S., Verma, C. S. & Hubbard, R. E. 1998 Rotation of structural water inside a protein: calculation of the rate and vibrational entropy of activation. J. Phys. Chem. B 102, 1797-1805.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 1797-1805
-
-
Fischer, S.1
Verma, C.S.2
Hubbard, R.E.3
-
31
-
-
0035940247
-
Dissecting the vibrational entropy change on protein/ligand binding: Burial of a water molecule in bovine pancreatic trypsin inhibitor
-
Fischer, S., Smith, J. C. & Verma, C. 2001 Dissecting the vibrational entropy change on protein/ligand binding: burial of a water molecule in bovine pancreatic trypsin inhibitor. J. Phys. Chem. B 105, 8050-8055.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 8050-8055
-
-
Fischer, S.1
Smith, J.C.2
Verma, C.3
-
32
-
-
0033064923
-
The temperature dependence of internal molecular motions in hydrated and dry alpha-amylase: The role of hydration water in the dynamical transition of proteins
-
Fitter, J. 1999 The temperature dependence of internal molecular motions in hydrated and dry alpha-amylase: the role of hydration water in the dynamical transition of proteins. Biophys. J. 76, 1034-1042.
-
(1999)
Biophys. J.
, vol.76
, pp. 1034-1042
-
-
Fitter, J.1
-
33
-
-
0030823236
-
Picosecond molecular motions in bacteriorhodopsin from neutron scattering
-
Fitter, J., Lechner, R. E. & Dencher, N. A. 1997 Picosecond molecular motions in bacteriorhodopsin from neutron scattering. Biophys. J. 73, 2126-2137.
-
(1997)
Biophys. J.
, vol.73
, pp. 2126-2137
-
-
Fitter, J.1
Lechner, R.E.2
Dencher, N.A.3
-
35
-
-
0000385590
-
The protein-glass analogy: Some insights from homopeptide comparisons
-
Green, J. L., Fan, J. & Angell, C. A. 1994 The protein-glass analogy: some insights from homopeptide comparisons. J. Phys. Chem. 98, 13 780-13 790.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 13780-13790
-
-
Green, J.L.1
Fan, J.2
Angell, C.A.3
-
36
-
-
0029647450
-
Protein reaction kinetics in a room-temperature glass
-
Hagen, S. J., Hofrichter, J. & Eaton, W. A. 1995 Protein reaction kinetics in a room-temperature glass. Science 269, 959-962.
-
(1995)
Science
, vol.269
, pp. 959-962
-
-
Hagen, S.J.1
Hofrichter, J.2
Eaton, W.A.3
-
37
-
-
0028773889
-
Volume changes on protein folding
-
Harpaz, Y., Gerstein, M. & Chothia, C. 1994 Volume changes on protein folding. Structure 2, 641-649.
-
(1994)
Structure
, vol.2
, pp. 641-649
-
-
Harpaz, Y.1
Gerstein, M.2
Chothia, C.3
-
38
-
-
0032987196
-
Closing in on bacteriorhodopsin: Progress in understanding the molecule
-
Haupts, U., Tittor, J. & Oesterhelt, D. 1999 Closing in on bacteriorhodopsin: progress in understanding the molecule. A. Rev. Biophys. Biomol. Struct. 28, 367-399.
-
(1999)
A. Rev. Biophys. Biomol. Struct.
, vol.28
, pp. 367-399
-
-
Haupts, U.1
Tittor, J.2
Oesterhelt, D.3
-
39
-
-
0036193327
-
Temperature dependence of protein dynamics: Computer simulation analysis of neutron scattering properties
-
Hayward, J. A. & Smith, J. C. 2002 Temperature dependence of protein dynamics: computer simulation analysis of neutron scattering properties. Biophys. J. 82, 1216-1225.
-
(2002)
Biophys. J.
, vol.82
, pp. 1216-1225
-
-
Hayward, J.A.1
Smith, J.C.2
-
40
-
-
0000127140
-
Methods for estimating the configurational entropy of macromolecules
-
Karplus, M. & Kushick, J. N. 1981 Methods for estimating the configurational entropy of macromolecules. Macromolecules 14, 325-332.
-
(1981)
Macromolecules
, vol.14
, pp. 325-332
-
-
Karplus, M.1
Kushick, J.N.2
-
41
-
-
0032374086
-
Energy landscape of a native protein: Jumping-among-minima model
-
Kitao, A., Hayward, S. & Go, N. 1998 Energy landscape of a native protein: jumping-among-minima model. Proteins 33, 496-517.
-
(1998)
Proteins
, vol.33
, pp. 496-517
-
-
Kitao, A.1
Hayward, S.2
Go, N.3
-
42
-
-
0000988129
-
Protein dynamics from Mossbauer spectra. The temperature dependence
-
Knapp, E. W., Fischer, S. F. & Parak, F. 1982 Protein dynamics from Mossbauer spectra. The temperature dependence. J. Am. Chem. Soc. 86, 5042-5047.
-
(1982)
J. Am. Chem. Soc.
, vol.86
, pp. 5042-5047
-
-
Knapp, E.W.1
Fischer, S.F.2
Parak, F.3
-
43
-
-
0030965411
-
Solvent structure at a hydrophobic protein surface
-
Kovacs, H., Mark, A. E. & van Gunsteren, W. F. 1997 Solvent structure at a hydrophobic protein surface. Proteins 27, 395-404.
-
(1997)
Proteins
, vol.27
, pp. 395-404
-
-
Kovacs, H.1
Mark, A.E.2
Van Gunsteren, W.F.3
-
44
-
-
0034499002
-
Molecular mechanism of ion transport in bacteriorhodopsin: Insights from crystallographic, spectroscopic, kinetic and mutational studies
-
Lanyi, J. K. 2000 Molecular mechanism of ion transport in bacteriorhodopsin: insights from crystallographic, spectroscopic, kinetic and mutational studies. J. Phys. Chem. B 104, 11 441-11 448.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11441-11448
-
-
Lanyi, J.K.1
-
45
-
-
0036968773
-
Crystallographic structure of the retinal and the protein after deprotonation of the Schiff base: The switch in the bacteriorhodopsin photocycle
-
Lanyi, J. K. & Schobert, B. 2002 Crystallographic structure of the retinal and the protein after deprotonation of the Schiff base: the switch in the bacteriorhodopsin photocycle. J. Mol. Biol. 321, 727-737.
-
(2002)
J. Mol. Biol.
, vol.321
, pp. 727-737
-
-
Lanyi, J.K.1
Schobert, B.2
-
47
-
-
0035942731
-
Microscopic origins of entropy, heat capacity and the glass transition in proteins
-
Lee, A. L. & Wand, A. J. 2001 Microscopic origins of entropy, heat capacity and the glass transition in proteins. Nature 411, 501-504.
-
(2001)
Nature
, vol.411
, pp. 501-504
-
-
Lee, A.L.1
Wand, A.J.2
-
48
-
-
0028218493
-
A global-model of the protein-solvent interface
-
Lounnas, V., Pettitt, B. M. & Phillips, G. N. 1994 A global-model of the protein-solvent interface. Biophys. J. 66, 601-614.
-
(1994)
Biophys. J.
, vol.66
, pp. 601-614
-
-
Lounnas, V.1
Pettitt, B.M.2
Phillips, G.N.3
-
49
-
-
0031738407
-
Kinetic and thermodynamic study of the bacteriorhodopsin photocycle over a wide pH range
-
Ludman, K., Gergely, C. & Váró, G. 1998 Kinetic and thermodynamic study of the bacteriorhodopsin photocycle over a wide pH range. Biophys. J. 75, 3110-3119.
-
(1998)
Biophys. J.
, vol.75
, pp. 3110-3119
-
-
Ludman, K.1
Gergely, C.2
Váró, G.3
-
50
-
-
0033609904
-
Structure of bacteriorhodopsin at 1.55 Å resolution
-
Luecke, H., Schobert, B., Richter, H. T., Cartailler, J. P. & Lanyi, J. K. 1999 Structure of bacteriorhodopsin at 1.55 Å resolution. J. Mol. Biol. 291, 899-911.
-
(1999)
J. Mol. Biol.
, vol.291
, pp. 899-911
-
-
Luecke, H.1
Schobert, B.2
Richter, H.T.3
Cartailler, J.P.4
Lanyi, J.K.5
-
51
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A. D. (and 28 others) 1998 All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 102, 3586-3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
-
52
-
-
0036008508
-
Sassim: A method for calculating small-angle X-ray and neutron scattering and the associated molecular envelope from explicit-atom models of solvated proteins
-
Merzel, F. & Smith, J. C. 2002a Sassim: a method for calculating small-angle X-ray and neutron scattering and the associated molecular envelope from explicit-atom models of solvated proteins. Acta Crystall. D 58, 242-249.
-
(2002)
Acta Crystall. D
, vol.58
, pp. 242-249
-
-
Merzel, F.1
Smith, J.C.2
-
53
-
-
0037117502
-
Is the first hydration shell of lysozyme of higher density than bulk water?
-
Merzel, F. & Smith, J. C. 2002b Is the first hydration shell of lysozyme of higher density than bulk water? Proc. Natl Acad. Sci. USA 99, 5378-5383.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 5378-5383
-
-
Merzel, F.1
Smith, J.C.2
-
54
-
-
0033546117
-
Large-scale networks of hydration water molecules around bovine beta-trypsin revealed by cryogenic X-ray crystal structure analysis
-
Nakasako, M. 1999 Large-scale networks of hydration water molecules around bovine beta-trypsin revealed by cryogenic X-ray crystal structure analysis. J. Mol. Biol. 289, 547-564.
-
(1999)
J. Mol. Biol.
, vol.289
, pp. 547-564
-
-
Nakasako, M.1
-
55
-
-
0000036869
-
Simulation of activation free energies in molecular systems
-
Neria, E., Fischer, S. & Karplus, M. 1996 Simulation of activation free energies in molecular systems. J. Chem. Phys. 105, 1902-1921.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1902-1921
-
-
Neria, E.1
Fischer, S.2
Karplus, M.3
-
56
-
-
0035997075
-
Effect of the environment on the protein dynamical transition: A neutron scattering study
-
Paciaroni, A., Cinelli, S. & Onori, G. 2002 Effect of the environment on the protein dynamical transition: a neutron scattering study. Biophys. J. 83, 1157-1164.
-
(2002)
Biophys. J.
, vol.83
, pp. 1157-1164
-
-
Paciaroni, A.1
Cinelli, S.2
Onori, G.3
-
57
-
-
0019135979
-
Evidence for a correlation between the photoinduced electron transfer and dynamic properties of the chromatophore membranes from Rhodospirillum rubrum
-
Parak, F., Frolov, E. N., Kononenko, A. A., Mossbauer, R. L., Goldanskii, V. I. & Rubin, A. B. 1980 Evidence for a correlation between the photoinduced electron transfer and dynamic properties of the chromatophore membranes from Rhodospirillum rubrum. FEBS Lett. 117, 368-372.
-
(1980)
FEBS Lett.
, vol.117
, pp. 368-372
-
-
Parak, F.1
Frolov, E.N.2
Kononenko, A.A.3
Mossbauer, R.L.4
Goldanskii, V.I.5
Rubin, A.B.6
-
58
-
-
0019516596
-
Dynamics of metmyoglobin crystals investigated by nuclear gamma resonance absorption
-
Parak, F., Frolov, E. N., Mossbauer, R. L. & Goldanskii, V. I. 1981 Dynamics of metmyoglobin crystals investigated by nuclear gamma resonance absorption. J. Mol. Biol. 145, 825-833.
-
(1981)
J. Mol. Biol.
, vol.145
, pp. 825-833
-
-
Parak, F.1
Frolov, E.N.2
Mossbauer, R.L.3
Goldanskii, V.I.4
-
59
-
-
0029746155
-
Direct evidence for modified solvent structure within the hydration shell of a hydrophobic amino acid
-
Pertsemlidis, A., Saxena, A. M., Soper, A. K., Head-Gordon, T. & Glaeser, R. M. 1996 Direct evidence for modified solvent structure within the hydration shell of a hydrophobic amino acid. Proc. Natl Acad. Sci. USA 93, 10 769-10 774.
-
(1996)
Proc. Natl. Acad. Sci. USA
, vol.93
, pp. 10769-10774
-
-
Pertsemlidis, A.1
Saxena, A.M.2
Soper, A.K.3
Head-Gordon, T.4
Glaeser, R.M.5
-
60
-
-
0032054168
-
Protein hydration density: Theory, simulations and crystallography
-
Pettitt, B. M., Makarov, V. A. & Andrews, B. K. 1998 Protein hydration density: theory, simulations and crystallography. Curr. Opin. Struct. Biol. 8, 218-221.
-
(1998)
Curr. Opin. Struct. Biol.
, vol.8
, pp. 218-221
-
-
Pettitt, B.M.1
Makarov, V.A.2
Andrews, B.K.3
-
61
-
-
0026720247
-
Crystalline ribonuclease a loses function below the dynamical transition at 220 K
-
Rasmussen, B. F., Stock, A. M., Ringe, D. & Petsko, G. A. 1992 Crystalline ribonuclease A loses function below the dynamical transition at 220 K. Nature 357, 423-424.
-
(1992)
Nature
, vol.357
, pp. 423-424
-
-
Rasmussen, B.F.1
Stock, A.M.2
Ringe, D.3
Petsko, G.A.4
-
62
-
-
0034730143
-
Solvent dependence of dynamic transitions in protein solutions
-
Reat, V., Dunn, R., Ferrand, M., Finney, J. L., Daniel, R. M. & Smith, J. C. 2000 Solvent dependence of dynamic transitions in protein solutions. Proc. Natl Acad. Sci. USA 97, 9961-9966.
-
(2000)
Proc. Natl. Acad. Sci. USA
, vol.97
, pp. 9961-9966
-
-
Reat, V.1
Dunn, R.2
Ferrand, M.3
Finney, J.L.4
Daniel, R.M.5
Smith, J.C.6
-
63
-
-
0029757992
-
Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: A molecular dynamics free energy perturbation study
-
Roux, B., Nina, M., Pomès, R. & Smith, J. C. 1996 Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study. Biophys. J. 71, 670-681.
-
(1996)
Biophys. J.
, vol.71
, pp. 670-681
-
-
Roux, B.1
Nina, M.2
Pomès, R.3
Smith, J.C.4
-
64
-
-
0034632821
-
Helix deformation is coupled to vectorial proton transport in the photocycle of bacteriorhodopsin
-
Royant, A., Edman, K., Ursby, T., Peyroula, E. P., Landau, E. M. & Neutze, R. 2000 Helix deformation is coupled to vectorial proton transport in the photocycle of bacteriorhodopsin. Nature 406, 645-648.
-
(2000)
Nature
, vol.406
, pp. 645-648
-
-
Royant, A.1
Edman, K.2
Ursby, T.3
Peyroula, E.P.4
Landau, E.M.5
Neutze, R.6
-
65
-
-
0342646933
-
Structural alterations for proton transport translocation in the M state of wild-type bacteriorhodopsin
-
Sass, H., Büldt, G., Gessenich, R., Hehn, D., Neff, D., Schlesinger, R., Berendzen, J. & Ormos, P. 2000 Structural alterations for proton transport translocation in the M state of wild-type bacteriorhodopsin. Nature 406, 649-653.
-
(2000)
Nature
, vol.406
, pp. 649-653
-
-
Sass, H.1
Büldt, G.2
Gessenich, R.3
Hehn, D.4
Neff, D.5
Schlesinger, R.6
Berendzen, J.7
Ormos, P.8
-
66
-
-
0036971196
-
Crystallographic structure of the K intermediate of bacteriorhodopsin: Conservation of free energy after photoisomerization of the retinal
-
Schobert, B., Cupp-Vickery, J., Hornak, V., Smith, S. O. & Lanyi, J. K. 2002 Crystallographic structure of the K intermediate of bacteriorhodopsin: conservation of free energy after photoisomerization of the retinal. J. Mol. Biol. 321, 715-726.
-
(2002)
J. Mol. Biol.
, vol.321
, pp. 715-726
-
-
Schobert, B.1
Cupp-Vickery, J.2
Hornak, V.3
Smith, S.O.4
Lanyi, J.K.5
-
67
-
-
0029421613
-
Hydration in protein crystallography
-
Schoenborn, B. P., Garcia, A. & Knott, R. 1995 Hydration in protein crystallography. Prog. Biophys. Mol. Biol. 64, 105-119.
-
(1995)
Prog. Biophys. Mol. Biol.
, vol.64
, pp. 105-119
-
-
Schoenborn, B.P.1
Garcia, A.2
Knott, R.3
-
68
-
-
0025091840
-
Dynamics of myoglobin: Comparison of simulation results with neutron scattering spectra
-
Smith, J., Kuczera, K. & Karplus, M. 1990 Dynamics of myoglobin: comparison of simulation results with neutron scattering spectra. Proc. Natl Acad. Sci. USA 87, 1601-1605.
-
(1990)
Proc. Natl. Acad. Sci. USA
, vol.87
, pp. 1601-1605
-
-
Smith, J.1
Kuczera, K.2
Karplus, M.3
-
69
-
-
0027431378
-
Protein hydration elucidated by molecular dynamics simulation
-
Steinbach, P. J. & Brooks, B. R. 1993 Protein hydration elucidated by molecular dynamics simulation. Proc. Natl Acad. Sci. USA 90, 9135-9139.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 9135-9139
-
-
Steinbach, P.J.1
Brooks, B.R.2
-
70
-
-
0030032239
-
Hydrated myoglobin's anharmonic fluctuations are not primarily due to dihedral transitions
-
Steinbach, P. J. & Brooks, B. R. 1996 Hydrated myoglobin's anharmonic fluctuations are not primarily due to dihedral transitions. Proc. Natl Acad. Sci. USA 93, 55-59.
-
(1996)
Proc. Natl. Acad. Sci. USA
, vol.93
, pp. 55-59
-
-
Steinbach, P.J.1
Brooks, B.R.2
-
71
-
-
0034632864
-
Molecular mechanism of vectorial proton translocation by bacteriorhodopsin
-
Subramaniam, S. & Henderson, R. 2000 Molecular mechanism of vectorial proton translocation by bacteriorhodopsin. Nature 406, 653-657.
-
(2000)
Nature
, vol.406
, pp. 653-657
-
-
Subramaniam, S.1
Henderson, R.2
-
72
-
-
0033582945
-
Protein conformational changes in the bacteriorhodopsin photocycle
-
Subramaniam, S., Lindhal, M., Bullough, P., Faruqi, A. R., Tittor, J., Oesterhelt, D., Brown, L., Lanyi, J. & Henderson, R. 1999 Protein conformational changes in the bacteriorhodopsin photocycle. J. Mol. Biol. 287, 145-161.
-
(1999)
J. Mol. Biol.
, vol.287
, pp. 145-161
-
-
Subramaniam, S.1
Lindhal, M.2
Bullough, P.3
Faruqi, A.R.4
Tittor, J.5
Oesterhelt, D.6
Brown, L.7
Lanyi, J.8
Henderson, R.9
-
73
-
-
0032478214
-
Protein hydration in solution: Experimental observation by X-ray and neutron scattering
-
Svergun, D., Richard, S., Koch, M. H., Sayers, Z., Kuprin, S. & Zaccai, G. 1998 Protein hydration in solution: experimental observation by X-ray and neutron scattering. Proc. Natl Acad. Sci. USA 95, 2267-2272.
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 2267-2272
-
-
Svergun, D.1
Richard, S.2
Koch, M.H.3
Sayers, Z.4
Kuprin, S.5
Zaccai, G.6
-
74
-
-
0033637521
-
The dynamics of protein hydration water: A quantitative comparison of molecular dynamics simulations and neutron-scattering experiments
-
Tarek, M. & Tobias, D. J. 2000 The dynamics of protein hydration water: a quantitative comparison of molecular dynamics simulations and neutron-scattering experiments. Biophys. J. 79, 3244-3257.
-
(2000)
Biophys. J.
, vol.79
, pp. 3244-3257
-
-
Tarek, M.1
Tobias, D.J.2
-
75
-
-
19044399611
-
Role of protein-water hydrogen bond dynamics in protein dymanical transition
-
Tarek, M. & Tobias, D. J. 2002 Role of protein-water hydrogen bond dynamics in protein dymanical transition. Phys. Rev. Lett. 88, 138101.
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 138101
-
-
Tarek, M.1
Tobias, D.J.2
-
76
-
-
0025896727
-
Water-protein interactions - Theory and experiment
-
Teeter, M. M. 1991 Water-protein interactions - theory and experiment. A. Rev. Biophys. Biophys. Chem. 20, 577-600.
-
(1991)
A. Rev. Biophys. Biophys. Chem.
, vol.20
, pp. 577-600
-
-
Teeter, M.M.1
-
77
-
-
0035949666
-
On the nature of a glassy state of matter in a hydrated protein: Relation to protein function
-
Teeter, M. M., Yamano, A., Stec, B. & Mohanty, U. 2001 On the nature of a glassy state of matter in a hydrated protein: relation to protein function. Proc. Natl Acad. Sci. USA 98, 11 242-11 247.
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 11242-11247
-
-
Teeter, M.M.1
Yamano, A.2
Stec, B.3
Mohanty, U.4
-
78
-
-
0026606219
-
Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K
-
Tilton Jr, R. F., Dewan, J. C. & Petsko, G. A. 1992 Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K. Biochemistry 31, 2469-2481.
-
(1992)
Biochemistry
, vol.31
, pp. 2469-2481
-
-
Tilton Jr., R.F.1
Dewan, J.C.2
Petsko, G.A.3
-
79
-
-
0346216028
-
Principal components of the protein dynamical transition
-
Tournier, A. L. & Smith, J. C. 2003 Principal components of the protein dynamical transition. Phys. Rev. Lett. 91, 208106.
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 208106
-
-
Tournier, A.L.1
Smith, J.C.2
-
80
-
-
0042861647
-
Translational hydration water dynamics drives the protein glass transition
-
Tournier, A. L., Xu, J. & Smith, J. C. 2003 Translational hydration water dynamics drives the protein glass transition. Biophys. J. 85, 1871-1875.
-
(2003)
Biophys. J.
, vol.85
, pp. 1871-1875
-
-
Tournier, A.L.1
Xu, J.2
Smith, J.C.3
-
81
-
-
0032809455
-
Orientational order and dynamics of hydration water in a single crystal of bovine pancreatic trypsin inhibitor
-
Venu, K., Svennson, L. A. & Halle, B. 1999 Orientational order and dynamics of hydration water in a single crystal of bovine pancreatic trypsin inhibitor. Biophys. J. 77, 1074-1085.
-
(1999)
Biophys. J.
, vol.77
, pp. 1074-1085
-
-
Venu, K.1
Svennson, L.A.2
Halle, B.3
-
82
-
-
0034130824
-
On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations
-
Walser, R., Mark, A. E. & van Gunsteren, W. F. 2000 On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations. Biophys. J. 78, 2752-2760.
-
(2000)
Biophys. J.
, vol.78
, pp. 2752-2760
-
-
Walser, R.1
Mark, A.E.2
Van Gunsteren, W.F.3
|