-
4
-
-
26944481188
-
Interfaces and the driving force of hydrophobic assembly
-
D. Chandler, Interfaces and the driving force of hydrophobic assembly, Nature 437 (2005) 640-647.
-
(2005)
Nature
, vol.437
, pp. 640-647
-
-
Chandler, D.1
-
5
-
-
2942655388
-
Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: A detailed structural and energetical analysis based on molecular dynamics simulations
-
D. Paschek, Heat capacity effects associated with the hydrophobic hydration and interaction of simple solutes: a detailed structural and energetical analysis based on molecular dynamics simulations, J. Chem. Phys. 120 (2004) 10605-10617.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 10605-10617
-
-
Paschek, D.1
-
6
-
-
0242363173
-
Energetics of hydrogen bonds in peptides
-
DOI 10.1073/pnas.2133366100
-
S.Y. Sheu, D.Y. Yang, H.L. Selzle, E.W. Schlag, Energetics of hydrogen bonds in peptides, Proc. Natl Acad. Sci. USA 100 (2003) 12683-12687. (Pubitemid 37339959)
-
(2003)
Proceedings of the National Academy of Sciences of the United States of America
, vol.100
, Issue.22
, pp. 12683-12687
-
-
Sheu, S.-Y.1
Yang, D.-Y.2
Selzle, H.L.3
Schlag, E.W.4
-
7
-
-
0030736114
-
Free energy of amide hydrogen bond formation in vacuum, in water, and in liquid alkane solution
-
N. Ben-Tal, D. Sitkoff, I.A. Topol, A.S. Yang, S.K. Burt, B. Honig, Free energy of amide hydrogen bond formation in vacuum, in water, and in liquid alkane solution, J. Phys. Chem. B 101 (1997) 450-457. (Pubitemid 127617329)
-
(1997)
Journal of Physical Chemistry B
, vol.101
, Issue.3
, pp. 450-457
-
-
Ben-Tal, N.1
Sitkoff, D.2
Topol, I.A.3
Yang, A.-S.4
Burt, S.K.5
Honig, B.6
-
8
-
-
0037019460
-
Molecular dynamics of water at protein-solvent interface
-
A.R. Bizzarri, S. Cannistraro, Molecular dynamics of water at protein-solvent interface, J. Phys. Chem. B 106 (2002) 6617-6633.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 6617-6633
-
-
Bizzarri, A.R.1
Cannistraro, S.2
-
9
-
-
0016721016
-
Solvation of crystalline proteins: Theory and its application to available data
-
W.J. Scanlon, D. Eisenberg, Solvation of crystalline proteins: theory and its application to available data, J. Mol. Biol. 98 (1975) 485-502.
-
(1975)
J. Mol. Biol.
, vol.98
, pp. 485-502
-
-
Scanlon, W.J.1
Eisenberg, D.2
-
10
-
-
0001238181
-
Solvation of crystalline proteins: Solvent bound in sperm whale metmyoglobin type A crystals at 6.1 and 23.5°C
-
W.J. Scanlon, D. Eisenberg, Solvation of crystalline proteins: solvent bound in sperm whale metmyoglobin type A crystals at 6.1 and 23.5°C, J. Phys. Chem. 85 (1981) 3251-3256.
-
(1981)
J. Phys. Chem.
, vol.85
, pp. 3251-3256
-
-
Scanlon, W.J.1
Eisenberg, D.2
-
11
-
-
4344641474
-
Water-protein interactions from high-resolution protein crystallography
-
DOI 10.1098/rstb.2004.1498
-
M. Nakasako, Water-protein interactions from high-resolution protein crystallography, Philos. Trans. R. Soc. Lond. B 359 (2004) 1191-1206. (Pubitemid 39123211)
-
(2004)
Philosophical Transactions of the Royal Society B: Biological Sciences
, vol.359
, Issue.1448
, pp. 1191-1206
-
-
Nakasako, M.1
Finney, J.L.2
Rand, P.3
Engberts, J.B.F.N.4
McKendry, R.5
Zaccai, G.6
-
12
-
-
0037110473
-
Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic x-ray crystal structure analyses: On the correlation between crystal water sites, solvent density, and solvent dipole
-
DOI 10.1002/jcc.10100
-
J. Higo, M. Nakasako, Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: on the correlation between crystal water sites, solvent density, and solvent dipole, J. Comput. Chem. 23 (2002) 1323-1336. (Pubitemid 35186234)
-
(2002)
Journal of Computational Chemistry
, vol.23
, Issue.14
, pp. 1323-1336
-
-
Higo, J.1
Nakasako, M.2
-
13
-
-
11144314962
-
Hydrogen-bond patterns in the hydration structure of a protein
-
DOI 10.1016/j.cplett.2004.11.071, PII S0009261404018159
-
T. Yokomizo, M. Nakasako, T. Yamazaki, H. Shindo, J. Higo, Hydrogen-bond patterns in the hydration structure of a protein, Chem. Phys. Lett. 401 (2005) 332-336. (Pubitemid 40038266)
-
(2005)
Chemical Physics Letters
, vol.401
, Issue.4-6
, pp. 332-336
-
-
Yokomizo, T.1
Nakasako, M.2
Yamazaki, T.3
Shindo, H.4
Higo, J.5
-
14
-
-
0029046396
-
Molecular dynamics simulation of hydration in myoglobin
-
W. Gu, B.P. Schoenborn, Molecular dynamics simulation of hydration in myoglobin, Proteins 22 (1995) 20-26.
-
(1995)
Proteins
, vol.22
, pp. 20-26
-
-
Gu, W.1
Schoenborn, B.P.2
-
15
-
-
0037117502
-
Is the first hydration shell of lysozyme of higher density than bulk water?
-
F. Merzel, J.C. Smith, Is the first hydration shell of lysozyme of higher density than bulk water? Proc. Natl. Acad. Sci. U.S.A. 99 (2002) 5378-5383.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 5378-5383
-
-
Merzel, F.1
Smith, J.C.2
-
16
-
-
0028144626
-
A connected-cluster of hydration around myoglobin: Correlation between molecular dynamics simulations and experiment
-
V. Lounnas, B.M. Pettitt, A connected-cluster of hydration around myoglobin: correlation between molecular dynamics simulations and experiment, Proteins 18 (1994) 133-147. (Pubitemid 24055076)
-
(1994)
Proteins: Structure, Function and Genetics
, vol.18
, Issue.2
, pp. 133-147
-
-
Lounnas, V.1
Pettitt, B.M.2
-
17
-
-
0028955215
-
Hydration of nucleic acid fragments: Comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes
-
G. Hummer, A.E. García, D.M. Soumpasis, Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes, Biophys. J. 68 (1995) 1639-1652.
-
(1995)
Biophys. J.
, vol.68
, pp. 1639-1652
-
-
Hummer, G.1
García, A.E.2
Soumpasis, D.M.3
-
18
-
-
0033636839
-
Residence times of water molecules in the hydration sites of myoglobin
-
V.A. Makarov, B.K. Andrews, P.E. Smith, B.M. Pettitt, Residence times of water molecules in the hydration sites of myoglobin, Biophys. J. 79 (2000) 2966-2974.
-
(2000)
Biophys. J.
, vol.79
, pp. 2966-2974
-
-
Makarov, V.A.1
Andrews, B.K.2
Smith, P.E.3
Pettitt, B.M.4
-
19
-
-
51649131252
-
Distinguishing thermodynamic and kinetic views of the preferential hydration of protein surface
-
M.H. Priya, J.K. Shah, D. Asthagiri, M. Paulaitis, Distinguishing thermodynamic and kinetic views of the preferential hydration of protein surface, Biophys. J. 95 (2008) 2219-2225.
-
(2008)
Biophys. J.
, vol.95
, pp. 2219-2225
-
-
Priya, M.H.1
Shah, J.K.2
Asthagiri, D.3
Paulaitis, M.4
-
20
-
-
0037098857
-
Extracting hydration sites around proteins from explicit water simulations
-
R.H. Henchman, J.A. McCammon, Extracting hydration sites around proteins from explicit water simulations, J. Comput. Chem. 23 (2002) 861-869.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 861-869
-
-
Henchman, R.H.1
McCammon, J.A.2
-
21
-
-
0034845734
-
Deducing hydration sites of a protein from molecular dynamics simulations
-
M.S. Madhusudhan, S. Vishveshwara, Deducing hydration sites of a protein from molecular dynamics simulations, J. Biomol. Struct. Dyn. 19 (2001) 1-10.
-
(2001)
J. Biomol. Struct. Dyn.
, vol.19
, pp. 1-10
-
-
Madhusudhan, M.S.1
Vishveshwara, S.2
-
22
-
-
2542633488
-
Protein-water interactions in ribonuclease A and angiogenin: A molecular dynamics study
-
DOI 10.1002/prot.20114
-
B.S. Sanjeev, S. Vishveshwara, Protein-water interactions in ribonuclease A and angiogenin: a molecular dynamics study, Proteins 55 (2004) 915-923. (Pubitemid 38702950)
-
(2004)
Proteins: Structure, Function and Genetics
, vol.55
, Issue.4
, pp. 915-923
-
-
Sanjeev, B.S.1
Vishveshwara, S.2
-
23
-
-
0027957222
-
Distribution function implied dynamics versus residence times and correlations: Solvation shells of myoglobin
-
V. Lounnas, B.M. Pettitt, Distribution function implied dynamics versus residence times and correlations: solvation shells of myoglobin, Proteins 18 (1994) 148-160. (Pubitemid 24055077)
-
(1994)
Proteins: Structure, Function and Genetics
, vol.18
, Issue.2
, pp. 148-160
-
-
Lounnas, V.1
Pettitt, B.M.2
-
24
-
-
0035839052
-
Dynamics of hydration in hen egg white lysozyme
-
F. Sterpone, M. Ceccarelli, M. Marchi, Dynamics of hydration in hen egg white lysozyme, J. Mol. Biol. 311 (2001) 409-419.
-
(2001)
J. Mol. Biol.
, vol.311
, pp. 409-419
-
-
Sterpone, F.1
Ceccarelli, M.2
Marchi, M.3
-
25
-
-
6444228146
-
Molecular dynamics simulations of staphylococcal nuclease: Properties of waters at the protein surface
-
N. Somolin, R. Winter, Molecular dynamics simulations of staphylococcal nuclease: properties of waters at the protein surface, J. Phys. Chem. B 108 (2004) 15928-15937.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 15928-15937
-
-
Somolin, N.1
Winter, R.2
-
26
-
-
0035744176
-
A faster way to characterize by triple-quantum- filtered 17O NMR water molecules strongly bound to macromolecules in solution
-
A. Lehoux, M. Krzystyniak, E. Baguet, A faster way to characterize by triple-quantum- filtered 17O NMR water molecules strongly bound to macromolecules in solution, J. Magn. Reson. 148 (2001) 11-22.
-
(2001)
J. Magn. Reson.
, vol.148
, pp. 11-22
-
-
Lehoux, A.1
Krzystyniak, M.2
Baguet, E.3
-
27
-
-
38949183943
-
Nanosecond to microsecond protein dynamics probed by magnetic relaxation dispersion of buried water molecules
-
DOI 10.1021/ja0775873
-
E. Persson, B. Halle, Nanosecond to microsecond protein dynamics probed by magnetic relaxation dispersion of buried water molecules, J. Am. Chem. Soc. 130 (2008) 1774-1787. (Pubitemid 351214099)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.5
, pp. 1774-1787
-
-
Persson, E.1
Halle, B.2
-
28
-
-
0026326956
-
Protein hydration in aqueous solution
-
G. Otting, E. Liepinsh, K. Wüthrich, Protein hydration in aqueous solution, Science 254 (1991) 974-980. (Pubitemid 21917420)
-
(1991)
Science
, vol.254
, Issue.5034
, pp. 974-980
-
-
Otting, G.1
Liepinsh, E.2
Wuthrich, K.3
-
29
-
-
2542589513
-
NMR characterization of three-disulfide variants of lysozyme, C64A/C80A, C76A/C94A, and C30A/C115A-a marginally stable state in folded protein
-
A. Yokota, K. Hirai, H. Miyauchi, S. Iimura, Y. Noda, K. Inoue, K. Akasaka, H. Tachibana, S. Segawa, NMR characterization of three-disulfide variants of lysozyme, C64A/C80A, C76A/C94A, and C30A/C115A-a marginally stable state in folded protein, Biochemistry 43 (2004) 6663-6669.
-
(2004)
Biochemistry
, vol.43
, pp. 6663-6669
-
-
Yokota, A.1
Hirai, K.2
Miyauchi, H.3
Iimura, S.4
Noda, Y.5
Inoue, K.6
Akasaka, K.7
Tachibana, H.8
Segawa, S.9
-
31
-
-
33746101803
-
A theoretical analysis on hydration thermodynamics of proteins
-
T. Imai, Y. Harano, M. Kinoshita, A. Kovalenko, F. Hirata, A theoretical analysis on hydration thermodynamics of proteins, J. Chem. Phys. 125 (2006) 24911.
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 24911
-
-
Imai, T.1
Harano, Y.2
Kinoshita, M.3
Kovalenko, A.4
Hirata, F.5
-
32
-
-
38949201628
-
On the molecular origins of volumetric data
-
T. Chalikian, On the molecular origins of volumetric data, J. Phys. Chem. B 112 (2008) 911-917.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 911-917
-
-
Chalikian, T.1
-
33
-
-
0032128284
-
Refinement of triclinic hen egg-white lysozyme at atomic resolution
-
M.A. Walsh, T.R. Schneider, L.C. Sieker, Z. Dauter, V.S. Lamzin, K.S. Wilson, Refinement of triclinic hen egg-white lysozyme at atomic resolution, Acta Crystallogr. D 54 (2001) 522-546.
-
(2001)
Acta Crystallogr. D
, vol.54
, pp. 522-546
-
-
Walsh, M.A.1
Schneider, T.R.2
Sieker, L.C.3
Dauter, Z.4
Lamzin, V.S.5
Wilson, K.S.6
-
34
-
-
0034903874
-
Structure of tetragonal hen egg-white lysozyme at 0.94 Å from crystals grown by the counter-diffusion method
-
DOI 10.1107/S0907444901008873
-
C. Sauter, F. Otálora, J. Gavira, O. Vidal, R. Giegé, J.M. García-Ruiz, Structure of tetragonal hen egg-white lysozyme at 0.94 Å from crystals grown by the counterdiffusion method, Acta Crystallogr. D 51 (2001) 1119-1126. (Pubitemid 32739521)
-
(2001)
Acta Crystallographica Section D: Biological Crystallography
, vol.57
, Issue.8
, pp. 1119-1126
-
-
Sauter, C.1
Otalora, F.2
Gavira, J.-A.3
Vidal, O.4
Giege, R.5
Garcia-Ruiz, J.M.6
-
35
-
-
0030694240
-
Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography
-
DOI 10.1038/nsb1197-909
-
N. Niimura, Y. Minezaki, T. Nonaka, J.-C. Castagna, F. Cipriani, P. Høghøj, M.S. Lehmann, C. Wilkinson, Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography, Nature Struct. Mol. Biol. 4 (1997) 909-914. (Pubitemid 27479441)
-
(1997)
Nature Structural Biology
, vol.4
, Issue.11
, pp. 909-914
-
-
Niimura, N.1
Minezaki, Y.2
Nonaka, T.3
Castagna, J.-C.4
Cipriani, F.5
Hoghoj, P.6
Lehmann, M.S.7
Wilkinson, C.8
-
36
-
-
33847308554
-
Structural rigidity of a large cavity-containing protein revealed by high-pressure crystallography
-
M.D. Collins, M.L. Quillin, G. Hummer, B.W. Matthews, S.M. Gruner, Structural rigidity of a large cavity-containing protein revealed by high-pressure crystallography, J. Mol. Biol. 367 (2007) 752-763.
-
(2007)
J. Mol. Biol.
, vol.367
, pp. 752-763
-
-
Collins, M.D.1
Quillin, M.L.2
Hummer, G.3
Matthews, B.W.4
Gruner, S.M.5
-
37
-
-
35349013541
-
Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins
-
DOI 10.1529/biophysj.107.104182
-
A. Damjanovic, J.L. Schlessman, C.A. Fitch, A.E. Garcia, B. Garcia-Moreno, Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins, Biophys. J. 93 (2007) 2791-2804. (Pubitemid 47607815)
-
(2007)
Biophysical Journal
, vol.93
, Issue.8
, pp. 2791-2804
-
-
Damjanovic, A.1
Schlessman, J.L.2
Fitch, C.A.3
Garcia, A.E.4
Garcia-Moreno, E.B.5
-
38
-
-
0030892956
-
NMR identification of hydrophobic cavities with low water occupancies in protein structures using small gas molecules
-
G. Otting, E. Liepinsh, B. Halle, U. Frey, NMR identification of hydrophobic cavities with low water occupancies in protein structures using small gas molecules, Nature Struct. Biol. 4 (1997) 396-404.
-
(1997)
Nature Struct. Biol.
, vol.4
, pp. 396-404
-
-
Otting, G.1
Liepinsh, E.2
Halle, B.3
Frey, U.4
-
39
-
-
33847010225
-
Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation
-
T. Imai, R. Hiraoka, A. Kovalenko, F. Hirata, Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation, Proteins 66 (2007) 804-813.
-
(2007)
Proteins
, vol.66
, pp. 804-813
-
-
Imai, T.1
Hiraoka, R.2
Kovalenko, A.3
Hirata, F.4
-
40
-
-
14644424521
-
NMR snapshots of a fluctuating protein structure: Ubiquitin at 30 bar-3 kbar
-
DOI 10.1016/j.jmb.2005.01.052
-
R. Kitahara, S. Yokoyama, K. Akasaka, NMR snapshots of a fluctuating protein structure. Ubiquitin at 30 bar-3 kbar, J. Mol. Biol. 347 (2005) 277-285. (Pubitemid 40312458)
-
(2005)
Journal of Molecular Biology
, vol.347
, Issue.2
, pp. 277-285
-
-
Kitahara, R.1
Yokoyama, S.2
Akasaka, K.3
-
41
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
M. Karplus, J.A. McCammon, Molecular dynamics simulations of biomolecules, Nature Struct. Biol. 9 (2002) 646-652.
-
(2002)
Nature Struct. Biol.
, vol.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
42
-
-
77957937199
-
Atomic-level characterization of the structural dynamics of proteins
-
D.E. Shaw, P. Maragakis, K. Lindorff-Larsen, S. Piana, R.O. Dror, M.P. Eastwood, J.A. Bank, J.M. Jumper, J.K. Salmon, Y. Shan, W. Wriggers, Atomic-level characterization of the structural dynamics of proteins, Science 330 (2010) 341-346.
-
(2010)
Science
, vol.330
, pp. 341-346
-
-
Shaw, D.E.1
Maragakis, P.2
Lindorff-Larsen, K.3
Piana, S.4
Dror, R.O.5
Eastwood, M.P.6
Bank, J.A.7
Jumper, J.M.8
Salmon, J.K.9
Shan, Y.10
Wriggers, W.11
-
43
-
-
34250623720
-
Folding dynamics of 10-residue beta-hairpin peptide chignolin
-
A. Suenaga, T. Narumi, N. Futatsugi, R. Yanai, Y. Ohno, N. Okimoto, M. Taiji, Folding dynamics of 10-residue beta-hairpin peptide chignolin, Chem. Asian J. 2 (2007) 591-598.
-
(2007)
Chem. Asian J.
, vol.2
, pp. 591-598
-
-
Suenaga, A.1
Narumi, T.2
Futatsugi, N.3
Yanai, R.4
Ohno, Y.5
Okimoto, N.6
Taiji, M.7
-
44
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
B. Hess, C. Kutzner, D. van der Spoel, 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
Van Der Spoel, D.3
Lindahl, E.4
-
45
-
-
84943502952
-
A unified formulation of the constant temperature molecular dynamics methods
-
S. Nose, A unified formulation of the constant temperature molecular dynamics methods, Mol. Phys. 52 (1984) 255-268.
-
(1984)
Mol. Phys.
, vol.52
, pp. 255-268
-
-
Nose, S.1
-
46
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distribution
-
W.G. Hoover, Canonical dynamics: equilibrium phase-space distribution, Phys. Rev. A 31 (1985) 1695-1697.
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
47
-
-
36749107785
-
Molecular dynamics simulations at constant pressure and/or temperature
-
H.C. Andersen, Molecular dynamics simulations at constant pressure and/or temperature, J. Chem. Phys. 72 (1980) 2384-2393.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 2384-2393
-
-
Andersen, H.C.1
-
48
-
-
84926811618
-
Constant pressure molecular dynamics for molecular systems
-
S. Nose, M.L. Klein, Constant pressure molecular dynamics for molecular systems, Mol. Phys. 50 (1983) 1055-1076.
-
(1983)
Mol. Phys.
, vol.50
, pp. 1055-1076
-
-
Nose, S.1
Klein, M.L.2
-
49
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
DOI 10.1002/prot.21123
-
V. Hornak, R. Abel, A. Okur, B. Strockbine, A. Roitberg, C. Simmerling, Comparison of multiple Amber force fields and development of improved protein backbone parameters, Proteins 65 (2006) 712-725. (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
-
50
-
-
20544435097
-
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations
-
DOI 10.1529/biophysj.104.051938
-
E.J. Sorin, V.S. Pande, Exploring the helix-coil transition via all-atom equilibrium ensemble simulations, Biophysical J. 88 (2005) 2472-2493. (Pubitemid 40976118)
-
(2005)
Biophysical Journal
, vol.88
, Issue.4
, pp. 2472-2493
-
-
Sorin, E.J.1
Pande, V.S.2
-
51
-
-
2942622288
-
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
-
H.W. Horn, W.C. Swope, J.W. Pitera, J.D. Madura, T.J. Dick, Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew, J. Chem. Phys. 120 (2004) 9665-9678.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9665-9678
-
-
Horn, H.W.1
Swope, W.C.2
Pitera, J.W.3
Madura, J.D.4
Dick, T.J.5
-
52
-
-
49449085241
-
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
-
I.S. Joung, T.E. Cheatham, Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations, J. Phys. Chem. B 112 (2008) 9020-9041.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 9020-9041
-
-
Joung, I.S.1
Cheatham, T.E.2
-
53
-
-
33745299454
-
Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics
-
C.J. Fennell, J.D. Gezelter, Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics, J. Chem. Phys. 124 (2006) 234104.
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 234104
-
-
Fennell, C.J.1
Gezelter, J.D.2
-
54
-
-
0028304962
-
Satisfying hydrogen bonding potential in proteins
-
I.K. McDonald, J.M. Thornton, Satisfying hydrogen bonding potential in proteins, J. Mol. Biol. 238 (1994) 777-793.
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 777-793
-
-
McDonald, I.K.1
Thornton, J.M.2
-
55
-
-
0033516705
-
Packing density in proteins: Standard radii and volumes
-
J. Tsai, R. Taylor, C. Chothia, M. Gerstein, Packing density in proteins: standard radii and volumes, J. Mol. Biol. 290 (1999) 253-266.
-
(1999)
J. Mol. Biol.
, vol.290
, pp. 253-266
-
-
Tsai, J.1
Taylor, R.2
Chothia, C.3
Gerstein, M.4
-
56
-
-
0034662899
-
The radial distribution functions of water and ice from 220 K to 673 K and at pressures up to 400 MPa
-
A.K. Soper, The radial distribution functions of water and ice from 220 K to 673 K and at pressures up to 400 MPa, Chem. Phys. 258 (2000) 121-137.
-
(2000)
Chem. Phys.
, vol.258
, pp. 121-137
-
-
Soper, A.K.1
-
57
-
-
0026757625
-
Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme
-
K.P. Wilson, B.A. Malcolm, B.W. Matthews, Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme, J. Biol. Chem. 267 (1992) 10842-10849.
-
(1992)
J. Biol. Chem.
, vol.267
, pp. 10842-10849
-
-
Wilson, K.P.1
Malcolm, B.A.2
Matthews, B.W.3
-
58
-
-
0028785353
-
Thermal stability determinants of chicken egg-white lysozyme core mutants: Hydrophobicity, packing volume, and conserved buried water molecules
-
P. Shih, D.R. Holland, J.F. Kirsch, Thermal stability determinants of chicken egg-white lysozyme core mutants: hydrophobicity, packing volume, and conserved buried water molecules, Protein Sci. 4 (1995) 2050-2062.
-
(1995)
Protein Sci.
, vol.4
, pp. 2050-2062
-
-
Shih, P.1
Holland, D.R.2
Kirsch, J.F.3
-
59
-
-
0037246110
-
Buried water molecules contribute to the conformational stability of a protein
-
K. Takano, Y. Yamagata, K. Yutani, Buried water molecules contribute to the conformational stability of a protein, Protein Eng. 16 (2003) 5-9. (Pubitemid 36407059)
-
(2003)
Protein Engineering
, vol.16
, Issue.1
, pp. 5-9
-
-
Takano, K.1
Yamagata, Y.2
Yutani, K.3
-
60
-
-
0344406172
-
Pressure-dependent changes in the solution structure of hen egg-white lysozyme
-
M. Refaee, T. Tezuka, K. Akasaka, M.P. Williamson, Pressure-dependent changes in the solution structure of hen egg-white lysozyme, J. Mol. Biol. 327 (2003) 857-865.
-
(2003)
J. Mol. Biol.
, vol.327
, pp. 857-865
-
-
Refaee, M.1
Tezuka, T.2
Akasaka, K.3
Williamson, M.P.4
-
61
-
-
0035997127
-
Effect of stabilizing additives on the structure and hydration of proteins: A study involving monoclinic lysozyme
-
DOI 10.1107/S0907444902007126
-
N.T. Saraswathi, R. Sankaranarayanan, M. Vijayan, Effect of stabilizing additives on the structure and hydration of proteins: a study involving monoclinic lysozyme, Acta Crystallogr. D 58 (2002) 1162-1167. (Pubitemid 34780750)
-
(2002)
Acta Crystallographica Section D: Biological Crystallography
, vol.58
, Issue.7
, pp. 1162-1167
-
-
Saraswathi, N.T.1
Sankaranarayanan, R.2
Vijayan, M.3
-
62
-
-
0025281494
-
Molecular interactions in protein crystals: Solvent accessible surface and stability
-
DOI 10.1002/prot.340080103
-
S.A. Islam, D.L.Weaver,Molecular interactions in protein crystals: solvent accessible surface and stability, Proteins 8 (1990) 1-5. (Pubitemid 20235326)
-
(1990)
Proteins: Structure, Function and Genetics
, vol.8
, Issue.1
, pp. 1-5
-
-
Islam, S.A.1
Weaver, D.L.2
-
63
-
-
0000276909
-
Water structure associated with proteins and its role in crystallization
-
M. Frey,Water structure associated with proteins and its role in crystallization, Acta Crystallogr. D 50 (1994) 663-666.
-
(1994)
Acta Crystallogr. D
, vol.50
, pp. 663-666
-
-
Frey, M.1
-
64
-
-
0028921637
-
Structure and dynamics of the water around myoglobin
-
G.N. Phillips, B.M. Pettitt, Structure and dynamics of the water around myoglobin, Protein Sci. 4 (1995) 149-158.
-
(1995)
Protein Sci.
, vol.4
, pp. 149-158
-
-
Phillips, G.N.1
Pettitt, B.M.2
-
65
-
-
0028218493
-
A globalmodel of the protein-solvent interface
-
V. Lounnas, B.M. Pettitt, G.N. Phillips, A globalmodel of the protein-solvent interface, Biophys. J. 66 (1994) 601-614.
-
(1994)
Biophys. J.
, vol.66
, pp. 601-614
-
-
Lounnas, V.1
Pettitt, B.M.2
Phillips, G.N.3
-
66
-
-
0028172551
-
Protein hydration observed by X-ray diffraction
-
J.S. Jiang, A.T. Brunger, Protein hydration observed by X-ray diffraction, J. Mol. Biol. 243 (1994) 100-115.
-
(1994)
J. Mol. Biol.
, vol.243
, pp. 100-115
-
-
Jiang, J.S.1
Brunger, A.T.2
|