ライフサイエンスコーパス: binding energy

1 uned from resonance by less than the exciton binding energy.

2 g strong photoluminescence and large exciton binding energy.

3 lision point contribute significantly to the binding energy.

4 panied by a twofold reduction in the exciton binding energy.

5 van Hove singularities (vHSs) at adjustable binding energy.

6 o their intrinsic Frenkel excitons with high binding energy.

7 ly offers the opportunity to rapidly gain in binding energy.

8 s of the Tg O-3, O-8, and O-10 chains to the binding energy.

9 to a roughly 2% reduction in the three-body binding energy.

10 oil as a result of stabilization provided by binding energy.

11 of the spin-polarized surface states at high-binding energy.

12 A abundance and potentially influenced miRNA binding energy.

13 tide segment suggested to contribute most to binding energy.

14 stributed amino acids contribute most of the binding energy.

15 d no evidence of a long-lived feature at low binding energy.

16 interactions will contribute to the overall binding energy.

17 n the superlattice and tends to minimize the binding energy.

18 bled the tuning of the materials' 1s exciton binding energy.

19 n sites, which possess near-optimal hydrogen binding energy.

20 e's DNA sequence to transcription factor-DNA binding energy.

21 honon coupling and resultant polaronic trion binding energy.

22 due to heavy carrier masses and huge exciton binding energies.

23 best compounds, i.e., 5a, 5e showed the best binding energies.

24 strength produce significant differences in binding energies.

25 distances, and also with the incremental He binding energies.

26 n Au and Ag are manifested in stronger Au-Ar binding energies.

27 eir relative stabilities and excess electron binding energies.

28 inconsistent with a Gaussian distribution of binding energies.

29 rotein variants had higher oligomer-oligomer binding energies.

30 pecific expression of large transition-state binding energies.

31 nd on the current knowledge of their exciton binding energies.

32 e is correlated with the underlying specific binding energies.

33 On the basis of binding energy, 20 molecules were selected for synthesis

34 room-temperature exciton emission features (binding energies ~200-250 meV).

35 o constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a

36 n leading to a huge enhancement of the trion binding energy (~70 meV).

37 Docking (binding energy -8.124kcal/mol) and simulation studies co

38 a)/n, where Deltachi is the average electron binding energy, a generalized electronegativity, DeltaVN

39 Cd(2+) and Hg(2+) show the largest binding energies-a potential correlation with their know

40 nd hole pockets and are located at different binding energies above EF.

41 Ca(2+) and Pb(2+) reveal almost identical binding energies across the entire series of amino acids

42 predicted by microkinetic modeling when the binding energies, activation energies, and entropies of

43 ctional calculations estimate 35-43 kcal/mol binding energy, akin to typical M-M single-bond energies

44 ution of non-base-contacting residues to DNA binding energy, allowing base-contacting specificity res

45 ct transcription rate, suggesting that their binding energy also influences TL folding.

46 The Dirac cone apex appears at different binding energies and exhibits contrasting shift on Bi an

47 improves the correlation between calculated binding energies and experimentally measured affinities.

48 The calculated binding energies and phonon band dispersions of 2D Group

49 alcogenides (TMDs) host excitons with strong binding energies and sizable light-matter interactions.

50 rs, producing interlayer excitons with large binding energy and a long lifetime.

51 ulphur sites are demonstrated to show strong binding energy and be capable of anchoring polysulphides

52 extract the value of layer-dependent exciton binding energy and Bohr radius in the films by fitting t

53 al to resolve the evolution of the exciton's binding energy and coherent size with femtosecond time r

54 ng of the temperature dependence of the DBMP-binding energy and emission intensity shows that the DBM

55 quantum chemical methods such as interaction/binding energy and its fundamental components, dipole mo

56 nformational ensemble resulting in favorable binding energy and lower flexibility of the agonist-GPCR

57 The correlation between lattice oxygen (O) binding energy and O oxidation activity imposes a fundam

58 t exciton delocalization reduces the exciton binding energy and promotes exciton dissociation.

59 ent of various sulfur species via the strong binding energy and re-activation of the trapped sulfur s

60 descriptors such as the substrate-hydroxide binding energy and the interactions in the double layer

61 the d-orbitals of Zr and Hf, are too low in binding energy and thus cannot overlap with the pi* orbi

62 in field is generated that alters the adatom binding energy and, in turn, leads to a kinetic instabil

63 st and substrate ( approximately 15 kcal/mol binding energy) and are the key factors for transition-s

64 aterials with small band gaps, large exciton binding energies, and absorption spectra that are strong

65 easure the association kinetics, equilibrium binding energies, and single-turnover cleavage rates of

66 hing hundreds of microns; (ii) a low exciton binding energy; and (iii) a high optical absorption coef

67 The much larger binding energy (approximately 280 MeV) between two botto

68 ased on the reaction intermediates and their binding energies are analyzed.

69 spect to the uncorrected DFAs, the resulting binding energies are corrected toward accurate reference

70 Because the ratios of the different panel-binding energies are scale-invariant, this approach can,

71 The relativistic effects on three-body binding energy are calculated for the Malfliet-Tjon pote

72 Trends in the binding energy are similar for both periodic and molecul

73 perties, including large and tunable exciton binding energies as computed by the GW-Bethe-Salpeter eq

74 We identify the adsorbate-binding energy as a descriptor for certain molecular vib

75 interactions (Coulomb) dominate the overall binding energy as evidenced by low sensitivity of ionic

76 rce for GB sliding is the gain in interlayer binding energy as the more stable phase grows at the exp

77 inding probability owing to the variation in binding energies, as supported by DFT calculations.

78 ncreased olefin uptake without affecting the binding energy, as predicted by DFT and confirmed by tem

79 corresponding amino acid, the difference in binding energy, as shown by MD-MM/PBSA, is important for

80 y surface and statistically sample adsorbate binding energies at every point in the alloy phase diagr

81 both hydrogen and hydroxide achieve optimal binding energies at the Ni/NiO interface, resulting from

82 t, showed particularly favorable docking and binding energies at the putative AA site of the receptor

83 tronic properties, including a large exciton binding energy at room temperature and a very small piez

84 TR results, DFT calculations indicate the Pb binding energy at the ES(2) site is at least 0.16 eV mor

85 Finally, the biexciton binding energy at the optimized geometries is calculated

86 that a large fraction of the total substrate-binding energy be utilized to drive conformational chang

87 The elemental core-level binding energies (BE) and core-level shifts (CLS) are de

88 the first investigation of the difference in binding energy between a series of metal-semiconductor h

89 et our algorithm as deriving a model for the binding energy between a target receptor and the set of

90 educed mass, and the other factor is cluster binding energy between an ion and a neutral solvent mole

91 bsorption spectral shape correlates with the binding energy between constituent triplets, providing a

92 A remarkable 16 kcal/mol increase in the binding energy between Naph(+*)(Pyr) and Bz(+*)(Pyr) (Bz

93 lly leads to higher electronic couplings and binding energy between neighboring chains.

94 force spectroscopy to directly measure free binding energy between organic ligands and minerals and

95 t-Pt distances in such a way to optimize the binding energy between Pt and O intermediates on the sur

96 interference (CRISPRi) assay to measure the binding energy between tens of thousands of CRISPR RNA (

97 gradability was in a good agreement with the binding energy between the active site of FsC and differ

98 nd show that the positional variation in the binding energy between the molecules is dominated by the

99 arising from the subtle variation in nuclear binding energy between the two DiLeu isotopologues.

100 ulations clearly reveal a remarkably lowered binding energy between Zn(2+) and host O(2-) , which exp

101 elationship between the sequence, structure, binding energy, binding kinetics and binding thermodynam

102 eet taste receptor performed to obtain their binding energy, binding sites and correlation with sweet

103 e driving force for gel formation is not the binding energy, but rather the entropy of distributing D

104 e a reduction in the total intrinsic dianion binding energy, but the effect of Y208F extends to the c

105 try will result in over estimating the trion binding energy by nearly 20 meV at room temperature.

106 differential scanning fluorimetry (DSF), and binding energy calculations, we demonstrate that Vn is c

107 tions solution-as well as by structure-based binding energy calculations.

108 The resulting dimer binding energies can be quite high and the intermolecula

109 Even species with weak binding energy can have residence lifetimes on the surfa

110 esults suggest that the periodically varying binding energy can lead to inhomogeneous adsorption kine

111 therms of irradiated samples indicate higher binding energies compared to their non-irradiated parent

112 segment', a linear peptide with significant binding energy compared to that of the complex, may be a

113 During self-assembly, the favorable binding energy competes with the energetic cost of the g

114 Molecular dynamics simulations and effective binding energy computations indicate a less favorable bi

115 ities and amounts of protein and yields free binding energy contributions, DeltaG, of the various sig

116 holes are binding sites for Lewis bases, and binding energies correlate with the magnitudes of the VS

117 ved in the sigma1 assays and calculated free binding energy, coupled with the identification of four

118 g (molecular dynamic simulations and MM/GBSA binding energy decomposition analyses) to identify conse

119 ct of functional group replacements on Gibbs binding energies DeltaG.

120 focal adhesion kinase) is controlled by the binding energy DeltaG.

121 ck Vina and ROSETTA were able to distinguish binding energy differences for individual pairs of favor

122 These molecules displayed low binding energy during MMPBSA calculations, substantiatin

123 ) in the entire bulk Brillouin zone and 6 eV binding-energy (EB) interval was acquired in approximate

124 ows that ca. 50% of the wildtype TIM dianion binding energy, eliminated by these mutations, is expres

125 2D hybrid perovskites create excitons with a binding energy exceeding 150 meV.

126 Exciton binding energies, exciton radii, and free-particle bandg

127 This reduces the substrate-binding energy expressed at the Michaelis complex, while

128 eratures studied, where the reduction of the binding energies for a given species is unaffected by th

129 Previous models postulated symmetric binding energies for each state of the coarse-grained pr

130 and together provide approximately 50% more binding energy for ACh than for choline.

131 lphaY198 each provide approximately 50% less binding energy for Cho compared to ACh.

132 XPS analysis revealed that the binding energy for Ni 2p(3/2) band of the Ni(0.25)Cu(0.7

133 ctivity and experimentally measured hydrogen binding energy for polycrystalline platinum examined in

134 The binding energy for the metallic glasses, measured using

135 Each additional repeat provides extra binding energy for the target DNA, with the gain decayin

136 characterized by strong contributions to the binding energy from delocalized, collective charge fluct

137 Ru/C systems is decoupled to their hydrogen binding energy (HBE), challenging the current prevailing

138 oped in terms of how fragments coincide with binding energy hot spots--regions of the protein where i

139 s that mutations within the immunity protein binding energy hotspot, helix III, are tolerated by comp

140 region, such as FP, can thus induce Abs with binding-energy hotspots coincident with the target subre

141 These Abs had binding-energy hotspots focused on FP, whereas several F

142 ption of phenol on alpha-Al2O3(0001) entails binding energies in the range of -202 kJ/mol to -127 kJ/

143 ield strength becomes comparable to electron binding energies in the so-called nonlinear optical regi

144 tune the electronic bandgap and the exciton binding energy in monolayers of WS2 and WSe2 by hundreds

145 that a narrow set of residues dominates the binding energy in protein-protein complexes independent

146 The large tuning range of vHS binding energy in twisted multilayer graphene provides a

147 micromolar concentration range and that the binding energies increase with the chain length.

148 other DNA glycosylases, convert part of the binding energy into active destabilization of their subs

149 By decomposing the total binding energy into many-body components, we find that l

150 uggest that the difference in ACh versus Cho binding energies is determined by different ligand posit

151 Because protein-ligand binding energy is in the THz range, especially, most imp

152 are properly applied, the periodicity in the binding energy is indeed recovered.

153 ngly supporting the hypothesis that hydrogen binding energy is the sole reaction descriptor for the h

154 the formation of multiple vHSs (at different binding energies) is also observed in trilayer graphene.

155 upertertiary structures can shape the ligand-binding energy landscape and modulate protein-protein in

156 by our optimization, making the funnel-like binding energy landscape more biased toward the native s

157 computational methods to explore the global binding energy landscape of the Fis1:Fis2:DNA ternary co

158 The binding energy landscape of the second receptor, in cont

159 The first receptor follows a binding energy landscape that partitions the energy prov

160 cludes determination of transcription-factor binding-energy landscapes and mechanistic modeling, enab

161 stacking faults and twin defects increase CO binding energy, leading to the enhanced CO(2) RR perform

162 in most cases their relatively small exciton binding energies limit their operation temperature.

163 undamental level, these include high exciton binding energy, low refractive index (compared to inorga

164 edicting catalytic activities from adsorbate binding energies, maps of catalytic activities at every

165 PCA, together with binding energies measurements and docking analysis, poin

166 e set of known ligands, where the underlying binding energy model is related to the classic Ising mod

167 Looking at the balance of average electron binding energy, multielectron, and nuclear-nuclear contr

168 ghly anisotropic, bright excitons with large binding energy not only opens avenues for the future exp

169 s a complex with the seleniranium ion 5 with binding energies of 57 and 62 kJ/mol for cyclopentene an

170 [B12 Cl11 Ng](-) adducts, with Ng binding energies of 80 to 100 kJ mol(-1) , contain B-Ng

171 ificant desorption of the stabilizing agent, binding energies of benzene to gold are measured even th

172 irst-principles calculations to evaluate the binding energies of benzonitrile, a model for 4'-pentyl-

173 Because the binding energies of core electrons vary significantly am

174 te expressions for the prediction of optimal binding energies of important surface intermediates and

175 ns reveal that the TMC substrates modify the binding energies of key intermediates on supported PdH.

176 MD-based binding energies of KS oligosaccharide-loaded galectins

177 lectron spectroscopy to unambiguously assign binding energies of noncovalent interactions to physisor

178 These results demonstrate that the binding energies of physiological receptor-ligand pairs

179 quantum chemical calculations of the cluster binding energies of representative HOMs.

180 The reported binding energies of ten supramolecular complexes obtaine

181 From molecular docking studies, the relative binding energies of the emodin and aloe-emodin derivativ

182 bility, the threshold concentration, and the binding energies of the fibril building blocks within fi

183 ure the binding statistics (dwell times) and binding energies of the initial RAG binding events and c

184 ch transitions are governed primarily by the binding energies of the initial state.

185 the d-band of the catalysts that adjusts the binding energies of the intermediate catalytic species.

186 Clear correlations emerge from the binding energies of the six divalent ions with amino aci

187 In addition to the binding energies of the structures we report on polymeri

188 We use these models to predict the binding energies of transcription factor binding sites t

189 The binding energies of trion and biexciton for single-layer

190 ral computational approaches to evaluate the binding energies of tyrosine (Tyr) and several unnatural

191 We find that the binding energies of Zn-DPP and Co-DPP are significantly

192 for which a triplet spin multiplicity with a binding energy of -3.20 kcal mol(-1) has been computed a

193 .394 eV at 7 K and an estimated free exciton binding energy of 150 meV.

194 l, we estimated a lower bound of the exciton binding energy of 198 meV for monolayer WSe2 and explain

195 The DBMP binding energy of 7 meV is measured from the spectral sh

196 electron laser and furthermore yielded He2's binding energy of [Formula: see text] neV, which is in a

197 to DNA sequence and directly related to the binding energy of a given DNA sequence to the histone co

198 the proton is 938 MeV) also revealed a large binding energy of about 130 MeV between the two charm qu

199 of 2.2 eV, from which we estimate an exciton binding energy of approximately 0.9 eV, consistent with

200 discrete terahertz phonons and intermediate binding energy of approximately 13.5 meV in perovskites

201 the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase l

202 ctional theory calculations of the molecular binding energy of BAC on Au(111) and its electronic stru

203 sh-pull building block to reduce the Coulomb binding energy of charge transfer states and (3) an ener

204 itrap allows the direct determination of the binding energy of cluster ions between analyte and reage

205 correction method (FLOSIC) to calculate the binding energy of clusters of up to eight water molecule

206 Quantum chemical calculations give a binding energy of CO2 to benzyl thiolate of -66.3 kJ mol

207 sts the 11 kcal/mol intrinsic phosphodianion binding energy of DHAP in trapping the substrate at a no

208 irectly imaging the variation in equilibrium binding energy of different molecular orientations.

209 oncept of electronegativity with the average binding energy of electrons in a system.

210 The predicted binding energy of HO* intermediate over Co-N-C catalyst

211 The binding energy of Na acetate is larger than original oil

212 ulate a degree of conformational changes and binding energy of noncovalent contacts at the FcRn bindi

213 The binding energy of oil molecule on modified calcite surfa

214 presented which show that the phosphodianion-binding energy of phosphate monoester substrates is used

215 Structural modeling revealed a higher binding energy of tadalafil to mouse PDE5A compared with

216 5 kilojoule per mole (kJ/mol) lower than the binding energy of the adsorbed precursor on IrO2(110), a

217 e Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals.

218 of the clusters substantially decreases the binding energy of the cyclohexene species which desorb f

219 rochemical performance is dependent upon the binding energy of the dye as well as the crystalline str

220 est neighbour, whereas the dependence of the binding energy of the E-centres with respect to alloy co

221 esults demonstrate a magnetic control of the binding energy of the fluctuating particle-hole pairs in

222 a contact model, we could estimate the free binding energy of the formed adhesion cluster as a funct

223 PFOA was correlated with both the calculated binding energy of the MOF for PFOA and the relative chan

224 The binding energy of the QBS is found to be 0.2206 eV, whic

225 Binding energy of the quantized two-dimensional state is

226 s indicate that Ag ad-atoms on Cu weaken the binding energy of the reduced acetaldehyde intermediate

227 With a binding energy of the second electron at 0.9 eV, B12 H12

228 S), as manifested by a negative shift of the binding energy of the Zn 2p3/2 electron of ZnPc-S16 afte

229 echanistically unrelated enzymes utilize the binding energy of their substrate's nonreacting phosphor

230 ve shift of the O(2p) valence state to lower binding energy of up to 243 meV which is a direct signat

231 h formulation provides a consistent impurity binding energy of ~1 eV for dielectric thin films.

232 e OMS are independent, with no dependence of binding energy on olefin loading up to one olefin per Cu

233 nd take root on edge planes, leading to high binding energy on support.

234 s in the 2D-TMD monolayer, are formed with a binding energy on the order of approximately 140 meV, wh

235 nides (TMDs), because of their large exciton binding energies, oscillator strength and valley degree

236 imethyl sulfoxide solvent from the gas-phase binding energy partition using the symmetry-adapted pert

237 s extending below the x-axis may represent a binding energy penalty for a residue or a negative weigh

238 e-off can be overcome, however, by the extra binding energy provided by the addition of more binding

239 reening of the exciton, in turn lowering its binding energy relative to the undoped perovskite-by alm

240 :peptide and TCR:MHC contacts to the overall binding energy remain unclear.

241 oxidation/evolution activity to the hydrogen binding energy renders a monotonic decreasing hydrogen o

242 Despite these large binding energies, reported photoluminescence quantum yie

243 th the gain decaying exponentially such that binding energy saturates.

244 pper halide perovskites with a large exciton binding energy, self-assembled quantum wells, and high q

245 The three features are chemical binding Energy, sequence information Entropy and Homolog

246 sites in the experiments, we predict the XPS binding energy shift and CO vibrational frequency for ea

247 , the spectral width exceeded the impurity's binding energy, signaling a breakdown of the quasipartic

248 ive approximately 20 and approximately 5 meV binding energies-similar to recent calculations using va

249 The MD simulations indicate that, high binding energy sites present in SWNT bundles are majorly

250 he fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on).

251 able bandgaps, extraordinarily large exciton-binding energies, strong light-matter coupling and a loc

252 idation/evolution activity with the hydrogen binding energy, strongly supporting the hypothesis that

253 single-walled carbon nanotubes with exciton-binding energies substantially exceeding kBT at room tem

254 The values obtained of the binding energy suggest that all the systems studied can

255 Although the exciton binding energy suggests room temperature valley coherenc

256 polymers nucleate condensed phases at lower binding energies than their rigid analogs.

257 cursor to free charge carriers and has lower binding energy than an exciton.

258 ties are found to show a much lower hydrogen binding energy than ruthenium nanoparticles, and a lower

259 e core cohesive energy and the shell-to-core binding energy that appears to drive nanocluster stabili

260 cts of ligand strain energy and metal-ligand binding energy that contribute to this conformational sw

261 caused a large, agonist-independent loss in binding energy that depended on the presence of alphaK14

262 ens of the pyridyl coated electrodes, with a binding energy that is sensitive to the choice of metal

263 t (SPS) of H(6) TPPS at the interface with a binding energy that is sufficiently strong to allow an i

264 Using only binding energy, the mechanism by which SurA carries out

265 target is the tuning of a material's exciton binding energy-the energy binding an electron-hole pair

266 acids to Mec1, followed by an enhancement in binding energy through interactions with neighboring seq

267 tron spectroscopic (XPS) analysis of C and N binding energies throughout the size fractions revealed

268 tructure and ranked based on their predicted binding energies to identify the best candidates for fun

269 t also reduces the mean error in the hexamer binding energies to less than 14 meV/[Formula: see text]

270 he many other enzymes that utilize substrate binding energy to drive changes in enzyme conformation,

271 solvation-based model for predicting protein binding energy to estimate quantitatively the contributi

272 e that pioneer transcription factors can use binding energy to initiate chromatin opening, and thereb

273 d Glu(4)) contribute a large fraction of the binding energy to its receptor XCR1, whereas residues ne

274 Their smaller electronegativity and binding energy to Li ions and bigger atomic radius provi

275 ovides a mechanism for utilization of ligand-binding energy to mold these catalysts into stiff and ac

276 d during catalytic turnover by using the GTP-binding energy to offload inactive cofactor.

277 hat each module adds a constant increment of binding energy to sequence-specific recognition.

278 Enzymes use binding energy to stabilize their substrates in high-ene

279 We exploit the large exciton binding energy to study exciton and carrier dynamics as

280 is the domain with the strongest calculated binding energy to the calcite surface that is selectivel

281 anking the Tn-glycan contributed significant binding energy to the interaction.

282 l were changed drastically by harnessing its binding energy to the metalloprotein.

283 transition carries part of the ATP/ATPgammaS-binding energy to the somewhat distant central pore.

284 IQGAP1 binding, and contributes little or no binding energy to this interaction, challenging previous

285 We derive structural and binding energy trends for twenty amino acids, their dipe

286 large variations of the bandgap and exciton binding energies up to the 100 meV range, often making i

287 spectroscopy, we determine (i) the vertical binding energy (VBE = 0.8 eV) of electrons in the conduc

288 titanium hollow sites, which have a hydrogen-binding energy very similar to that of platinum, resulti

289 ured d band center (an indicator of hydrogen binding energy) via a volcano-type relationship.

290 -dimensional structure of TIP1 and found the binding energy was -6.0 kCal/mol.

291 rovides independent estimates of the exciton binding energy which scales from 0.5-0.7 eV with theta =

292 GluN1b/GluN2B N-terminal domains led to free binding energies, which correlate nicely with the experi

293 sults are difficult to interpret in terms of binding energy, which is essential for the modeling of t

294 als, and inorganic salts due to their higher binding energies with the AuNP surface.

295 ctional theory and correlate the theoretical binding energies with the experiments to give reactivity

296 r associating the average change in electron binding energy with covalence, and the change in multiel

297 ill affect its charge delocalization and the binding energy with the corresponding modifier will be d

298 ow the presence of a surface state at higher-binding energy with the location of Dirac point at aroun

299 Valence-band features shift to higher binding energy with Zn content, while the conduction ban

300 s to optically prominent excitons with large binding energy, with these polaritonic modes having been