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1 dded adhesion within the local region of low electrostatic energy.
2 ding reductions in the supercoil elastic and electrostatic energies.
3 imated from the intramolecular hydrogen bond electrostatic energies.
4 select complexes with lowest desolvation and electrostatic energies.
5 analyzed in terms of both bond distances and electrostatic energies.
6 mpetition between the electrons' kinetic and electrostatic energies.
7  number of hydrogen bonds or with calculated electrostatic energies alone.
8 f methods for structure-based calculation of electrostatic energies and pK(a) values.
9  defects, adds hydrogen atoms and calculates electrostatic energies and the corresponding electrostat
10 accompanied by a significant lowering of the electrostatic energy and a rise in the surface area of t
11 se the elastic energy, the twists reduce the electrostatic energy and become weaker when the material
12 , allowing us to explore the balance between electrostatic energy and ligand desolvation energy in a
13 is a result of the molecule reaching a lower electrostatic energy and the formation of the highly fol
14      This relationship becomes obscured when electrostatic energies are calculated using Coulomb's la
15 conformations' Trp side chain-Trp side chain electrostatic energies are nearly identical.
16 rges, we measure ~200 millielectron volts of electrostatic energy arising from electron-hole separati
17 on potential energy functions that treat the electrostatic energy as a sum of pairwise Coulombic inte
18 ion: an intrinsic rectification caused by an electrostatic energy barrier from positively charged ami
19 g surfactant Survanta by inducing steric and electrostatic energy barriers analogous to those that pr
20 h tetrahedral sites results in high positive electrostatic energy barriers within the interlayer, cre
21 values to aluminosilicate minerals with high electrostatic energy barriers.
22 roughly estimated from the van der Waals and electrostatic energies between the glutathionyl moiety a
23 select among final states that have the same electrostatic energy, but differ dramatically in elastic
24             Accurate prediction of the total electrostatic energy by such force fields necessitates t
25                                          The electrostatic energy calculated as a function of displac
26                         As shown by detailed electrostatic energy calculations, this is the result of
27              In the computational study, the electrostatic energy components have been calculated usi
28 Waals energy contributions and a decrease in electrostatic energy contributions to the overall compou
29 ovskite oxides includes both the elastic and electrostatic energy contributions.
30 actions, and (3) decreased unfavorable total electrostatic energies (Coulombic plus desolvation).
31 rodes and a resilient polyurethane with high electrostatic energy density as dielectric layers.
32 insights into how the elastic energy and the electrostatic energy determine the extent of segregation
33                                              Electrostatic energy differences were introduced by vary
34 recent Kv1.2 structure, is used to calculate electrostatic energies during gating.
35                           In addition to the electrostatic energy, fast calculations of the forces an
36  compared with differences in the calculated electrostatic energies for a wide range of Cyt/RC config
37 ration scheme to rationally modulate surface electrostatic energies for crystallographic-selective gr
38 s a reasonable description of the underlying electrostatic energies for monovalent ions, but large de
39 um mechanics region and to ensure consistent electrostatic energies for reactants, transition states,
40 o derive the nonlinear Poisson model from an electrostatic energy functional.
41                       Sampling the classical electrostatic energy gap for 20 ns, we find that the flu
42 xygens of E148 and the anion moving down the electrostatic energy gradient.
43                                              Electrostatic energy harvesting and storage technologies
44 orders of magnitude higher than conventional electrostatic energy harvesting technologies, e.g., trib
45  work represents a transformative advance in electrostatic energy harvesting, enabling efficient and
46 e benefits of water-dielectric interfaces in electrostatic energy harvesting.
47 folding, and augmenting them with a focus on electrostatic energies, has led to models that are parti
48                         Accurately capturing electrostatic energies in the low-dielectric membrane of
49 energy (hydrogen bonding, van der Waals, and electrostatic energies), in agreement with previous muta
50 ropy compensates significantly for the large electrostatic energy increase due to closer-packed P bac
51 d is maximum at the surface of each ion, the electrostatic energy is dominated by the Born energy; in
52          The cyt c2 position with the lowest electrostatic energy is very similar to that of the cyt
53 exibility and distorts the actin-tropomyosin electrostatic energy landscape that, in muscle, result i
54                                          The electrostatic energy landscape was calculated for all pr
55 ant free energy contributions, including the electrostatic energies of the generated charges, the ene
56 ation of the leaving group, and the relative electrostatic energies of the heterocycles in the transi
57 dering only the changes in the corresponding electrostatic energies of the ligands.
58  general relationship between the calculated electrostatic energy of a charged residue and its degree
59  curvature stress, due to alterations in the electrostatic energy of dioleoylphosphatidylserine bilay
60 the electron density, we then calculated the electrostatic energy of interaction using EPMM.
61                      Here, we calculated the electrostatic energy of interactions and its per-ring co
62 imple model is described for calculating the electrostatic energy of lipid domains at the air-water i
63 cture in the dataset we calculated the total electrostatic energy of the binding and its two componen
64 ence in ion binding, not a difference in the electrostatic energy of the condensed state as previousl
65 tion of oxygen vacancies that couples to the electrostatic energy of the dopant in the perovskite lat
66                                          The electrostatic energy of the system appears to reproduce
67 rate of PTR in proteins is determined by the electrostatic energy of the transferred proton as long a
68                  Maneuvers that decrease the electrostatic energy of the unperturbed bilayer promote
69 This work opens a door for effectively using electrostatic energy, offering promising applications ra
70  favor the complex formation while the total electrostatic energy predominantly opposes the binding.
71 ole in stabilizing the micelles, whereas the electrostatic energies present a stable but minor energe
72  occupancy could be due to a decrease in the electrostatic energy profile for K(+) throughout the por
73 ulate the originally chaotic and distributed electrostatic energy resulted from contact electrificati
74 x-rays reveal a highly ordered state with an electrostatic energy significantly exceeding the thermal
75 he example of polymer dielectrics design for electrostatic energy storage applications.
76                   Here we report record-high electrostatic energy storage density (ESD) and power den
77                                              Electrostatic energy storage technology based on dielect
78                                              Electrostatic energy-storage ceramic capacitors are esse
79 in the presence of polarization effects, the electrostatic energy stored in the double-layer structur
80                                The resulting electrostatic energy surface exhibits a series of deep e
81  implementation that allows the inclusion of electrostatic energy terms, important to the interaction
82 n contribution to the binding is usually the electrostatic energy, the geometries are not always dete
83                                  The bilayer electrostatic energy thus can affect membrane protein st
84 abled by the competition between elastic and electrostatic energies which favors different types of f
85 the corresponding large reduction in overall electrostatic energy (which would otherwise arise from p
86 n of shape complementarity, desolvation, and electrostatic energies, which suggests a dimeric arrange
87 ion enhances dipolar interactions and lowers electrostatic energy, which may provide an energy source