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1 tructure on the dynamics and distribution of hydration water.
2 each component: the macromolecule, ions, and hydration water.
3 the presence of the counterion and not just hydration water.
4 of different protein secondary structures on hydration water.
5 cizes protein structures in a way similar to hydration water.
6 at successfully reproduces the properties of hydration water.
7 macromolecules just follows the dynamics of hydration water.
8 bel placed at the surface and the protons of hydration water.
9 l potentials does reveal a transition in the hydration water, again, no transition in the protein is
10 in line with previous experimental data for hydration water and calculations based on simple assumpt
12 ules, the structural and dynamic behavior of hydration water, and the flexibility and conformation st
14 detailed microscopic view on the dynamics of hydration water around a hydrophobic molecule, tetrameth
15 We show that the structure and dynamics of hydration water around an organic molecule are non-unifo
16 description of the dynamical perturbation of hydration water around green fluorescent protein in solu
18 fferences in the dynamics of protein and its hydration water at high temperatures: on the picosecond-
19 e suppression of the protein dynamics by the hydration water at low temperatures appears to be strong
20 ynamics simulations to study the dynamics of hydration water at the surface of fibers formed by the f
21 We demonstrate ordered orientation of the hydration water at the surface of phospholipid bilayers
23 mperature (approximately 235 K), but protein hydration water avoids this crystallization because each
25 ls in different media is the partitioning of hydration water between the enzyme and the bulk solvent.
26 ing the H-bonding/organization status of the hydration waters both in the unbound and the bound state
27 S-G18V: (i) how do the diffusion dynamics of hydration water change as a function of protein crowding
30 ure, based on average structural features of hydration water, configurational properties of single wa
31 ations have been used to investigate protein hydration water density fluctuations as a function of pr
32 itions and providing a thermodynamic role of hydration water density fluctuations in driving hydropho
33 amics of biological macromolecules and their hydration water depends strongly on the chemical and thr
34 spectroscopy, we simultaneously measured the hydration water dynamics and protein side-chain motions
36 lecular dynamics simulations, revealing that hydration water dynamics around the core domain is signi
37 n of the experimentally observed increase in hydration water dynamics around the entire tau fiber.
38 polarization (ODNP) to probe the equilibrium hydration water dynamics at select sites on the surface
39 owder samples are appropriate for discussing hydration water dynamics in native protein environments.
44 we provide insight into the coupling between hydration-water dynamics and atomic motions in intrinsic
45 hought to be governed to a certain extent by hydration-water dynamics, yet it is not known whether th
46 rded due to reduced mobility of the involved hydration water, evident from a 2-fold reduction of the
48 the picosecond-to-nanosecond timescale, the hydration water exhibits diffusive dynamics, while the p
49 s decay corresponding to fluctuations of the hydration water, followed by a significant static offset
51 an energetic nature and due to desorption of hydration water; for larger hydration it is entropic and
52 aD (+/-0.8 per thousand) of the total gypsum hydration water from the DTIA method are comparable to t
53 drated metal ion and suggests a role for the hydration water in the metal-induced conformational chan
55 wding, the population of this robust surface hydration water increases, while a significant bulk-like
56 emperature range for the tau protein and its hydration water, indicating intimate coupling between th
57 ngth of the hydrogen bond network of surface hydration water is directly modulated on hydrophilic sur
59 al variations in thermodynamic properties of hydration water is its equilibrium dynamics spanning pic
61 ne --> tetrahydrofuran --> acetonitrile) the hydration water is stripped from the enzyme surface.
64 rfactant coating are similar to those of the hydration water, leading to the conclusion that the poly
65 o-strong dynamic crossover, the structure of hydration water makes a transition from predominantly hi
66 fiber formation, in particular the role that hydration water might play, remain poorly understood.
68 ne group and the other may be related to the hydration water molecules mainly associated with the pho
70 ynamics simulations to explore the nature of hydration water motions at temperatures between 200 and
71 he results provide evidence that protein and hydration-water motions mutually affect and shape each o
73 r stability, the thermodynamic properties of hydration water must reflect on the properties of the he
74 irect spectroscopic observation of so-called hydration water near a peptide and yields the first quan
76 y, from native to molten globule states, the hydration water networks loosen up, and the protein loca
77 his sudden switch in dynamic behavior of the hydration water on lysozyme occurs precisely at 220 K an
78 t polarity and indicate that the behavior of hydration water on the enzyme surface and in the active
81 n occurred generating a single population of hydration water, or do populations of bulk and hydration
83 H1' in the minor groove are consistent with hydration water present that is not observed in the anal
84 ydration water is similar to the behavior of hydration water previously observed for other proteins.
86 local exclusion of F(-) and Glu(-) from this hydration water, relative to the situation with Cl(-), w
88 gly conflicting range of values reported for hydration water retardation as a logical consequence of
90 and solute-water attractive interactions on hydration water structure around spherical clusters of 1
91 MSO was found to effectively destabilize the hydration water structure at the lipid membrane surface
96 dependence on probe length demonstrates that hydration water undergoes subdiffusive motions (tau prop
98 quantification of translational diffusion of hydration water using an emerging tool, (1)H Overhauser
99 s of green fluorescent protein (GFP) and its hydration water using neutron scattering spectroscopy an
100 be triggered by its strong coupling with the hydration water, which also shows a similar dynamic tran
101 phase transition of DPPC concludes that the hydration water with 100-200 ps dynamics displays Arrhen
102 he phonon is coupled to a relaxation mode of hydration water with a single relaxation time of 55 +/-
103 We have also estimated the total amount of hydration water with a typical -9% deviation from experi
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