ライフサイエンスコーパス: binding energy

1 g strong photoluminescence and large exciton binding energy.

2 A abundance and potentially influenced miRNA binding energy.

3 tide segment suggested to contribute most to binding energy.

4 stributed amino acids contribute most of the binding energy.

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

6 interactions will contribute to the overall binding energy.

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

8 lision point contribute significantly to the binding energy.

9 ter at B40(-) with an extremely low electron-binding energy.

10 ing energy was approximately half that in HA binding energy.

11 itial binding to F1 and provides most of the binding energy.

12 on increase antigen-antibody specificity and binding energy.

13 h mode because of the high Rh-Rh interatomic binding energy.

14 carbene lone pair, proton affinity, and CuCl binding energy.

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

16 epend on concentration and on the adsorption binding energy.

17 e major (favorable) contributor to the total binding energy.

18 o relationship between activity and hydrogen binding energy.

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

20 o their intrinsic Frenkel excitons with high binding energy.

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

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

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

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

25 eir relative stabilities and excess electron binding energies.

26 single bonds in terms of bond distances and binding energies.

27 ting a broad underlying distribution of site binding energies.

28 cally controlled cage filling and associated binding energies.

29 strength produce significant differences in binding energies.

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

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

32 They also possess a large binding energy (~ 20 meV), rendering them significant ev

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

34 s significantly greater than that of DNA-SAM binding energy (38.1 +/- 0.2; 33.9 +/- 0.1; 23.3 +/- 0.1

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

36 ton affinity (252.3-267.4 kcal/mol) and CuCl binding energy (62.9-66.6 kcal/mol) very close to those

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

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

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

45 Chemical insights, gained by per-residue binding energy analysis revealed that the non-polar inte

46 nts and covers a wide range both in terms of binding energies and contact distances.

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

48 AuH-X contacts are associated with very low binding energies and non-specific directionality.

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

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

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

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

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

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

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

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

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

58 omena occur are limited by the lesser of the binding energy and the degeneracy temperature of the bos

59 strate protein through unfolding, where both binding energy and the energy of ATP hydrolysis are used

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 to study, for the first time, the formation, binding energies, and dissociation mechanisms of exciton

65 theoretically possible, together with their binding energies, and their bond lengths.

66 Results from thermal denaturation, binding energy, and recognition experiments using Invade

67 We report a systematic binding energy- and wavevector-dependent spin polarizati

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

69 e unit cells, but with extraordinarily large binding energy ( approximately 0.7 electronvolts), leadi

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

71 These solvation shell binding energies are corroborated by the enthalpy of sol

72 teric enthalpy with methane occupancy; i.e., binding energies are greater as adsorption quantity incr

73 residues making the largest contribution to binding energy are heavily biased toward aromatic amino

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

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

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

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

78 pening from the perspective of the interface binding energies associated with the clamp opening proce

79 unction is explained by the calculated lower binding energy associated with the direct Au-C bond comp

80 ith first-principles calculations, we obtain binding energies, band gaps and spin-orbit splitting in

81 ecause of the approximately +1.3 eV shift in binding energy (BE) of protonated amines, pK values of b

82 In this regime, the cyclotron and binding energies become equal.

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

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

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

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

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

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

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

90 hat there is only a small difference in cAMP binding energy between the open and closed states of the

91 s will enhance ORR activity by weakening the binding energy between the surface and adsorbates.

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

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

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

95 e-ImmH captures more of the transition state binding energy by virtue of being a closer geometric mat

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

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

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

99 n a genomic context; and (iii) excessive DNA-binding energy can lead to reduced TALEN specificity in

100 The average electron binding energy, chi, is in principle accessible from exp

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

102 tion between the calculated and experimental binding energies confirmed the predicted structure of th

103 dying the MS2 coat protein, we decompose the binding energy contributions from primary and secondary

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

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

106 Calculated guest binding energies correlated well with the experimental f

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

108 antly to ligand binding (apparent changes in binding energy, DeltaDeltaG = 1.3 to >3.8 kcal mol(-1)).

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

110 In addition, substitutions that reduce binding energy do so by increasing off rates without imp

111 of CPT to be highly correlated with the drug binding energies, dynamic and structural properties of t

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

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

114 ACh binding energies estimated from molecular dynamics simul

115 2D hybrid perovskites create excitons with a binding energy exceeding 150 meV.

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

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

118 results in the correct prediction of similar binding energies for oxy- and carbonmonoxymyoglobin.

119 ivity and selectivity in the framework of CO binding energies for the different metals.

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

121 and small -3.8 kcal/mol intrinsic oxydianion binding energy for activation of hlGPDH by FPO3(2-) and

122 in particular, we obtain an extremely large binding energy for band-edge excitons, E bind >/= 570 me

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

124 a higher affinity for ACh and provides more binding energy for gating compared with alpha-epsilon; t

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

126 ide approximately 2.7 kcal/mol of additional binding energy for RNA polymerase.

127 The majority of the binding energy for the complex is provided by interactio

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

129 ing parameter lambda that allows us to infer binding energy from a PWM score.

130 The -2.2 kcal/mol extra binding energy from alpha-gamma compared with alpha-delt

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

132 The binding energy from these interactions enables the confi

133 Also, residues with large contributions to binding energy generally exhibit low temperature factors

134 en-bridged ion-molecule complexes exhibiting binding energies >24 kcal/mol are observed.

135 hydrogen-bridged ion-molecule complexes with binding energy >25 kcal/mol, whereas the m/z 44 species

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

137 forbidden from emitting light and their high binding energy hinders the generation of free electron-h

138 We report a comprehensive analysis of binding energy hot spots at the protein-protein interact

139 ing motif (PIFtide) bound to PDK1 and mapped binding energy hot spots using mutational analysis.

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

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

142 is indicated the presence of Cu 2p and Zn 2p binding energies in protein samples, further supporting

143 luorination, indicating weakened solid-fluid binding energies in the fluorinated systems.

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

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

146 observation of extraordinarily large exciton binding energy in a 2D semiconducting TMD.

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

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

149 nd C71 LUMO levels are less than the exciton binding energy in SWCNT.

150 optical spectroscopy to estimate the exciton binding energy in the mixed-halide crystal to be in the

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

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

153 NAC-null protein suggested that the reduced binding energy increases the protein mobility on the bil

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

155 To measure the magnitude of binding energies involved, here we used high-affinity TC

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

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

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

159 R switching, where part of the intrinsic O2 binding energy is reinvested for destabilization of the

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

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

162 lex, with the following intrinsic oxydianion binding energies (kcal/mol): SO3(2-), -8.3; HPO3(2-), -7

163 ecificity by the topography of the intrinsic binding energy landscape and the kinetic specificity by

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

165 often a handful of key residues dominate the binding energy landscape.

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

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

168 substitutions reduced substantially the net binding energy (made DeltaGB(ACh) less favorable) by >/=

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

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

171 nterpreted as arising from a distribution of binding energies, N(E(b)), on the Ag ASJ.

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

173 xcitonic dark states and exceptionally large binding energy not only sheds light on the importance of

174 to decrease with the pH, while the hydrogen binding energy, obtained from cyclic voltammograms, line

175 1) and Ru201 clusters, but such decreases in binding energy occur at higher coverages on Ru201 cluste

176 rsibly, unless a favorable contact with high binding energy occurs.

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

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

179 The calculated free binding energies of all hydroxyethylpiperazines nicely c

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

181 Because the binding energies of core electrons vary significantly am

182 Modeling the binding energies of MERS-CoV spike protein RBD to DPP4 o

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

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

185 The reported binding energies of ten supramolecular complexes obtaine

186 is extremely sensitive to the difference in binding energies of the cis and trans configurations.

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

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

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

190 en Na(+) and e(-), solvent coordination, and binding energies of the Na atom and electron were observ

191 anion is shown to be equal to the sum of the binding energies of the side chains of R235 (6 kcal/mol)

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

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

194 s in both the electrical conductance and the binding energies of the studied molecular wires.

195 rences between the calculated geometries and binding energies of the Xe complexes of the sigma(0)pi(6

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

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

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

199 These yield an exciton binding energy of 0.55 eV for monolayer MoSe2 on graphen

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

201 Binding energy of 4, 1.6, and 26 aJ was determined on pP

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

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

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

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

206 The effect of mechanical strain on the binding energy of adsorbates to late transition metals i

207 whereas addition of C6F5 groups reduces the binding energy of all reaction intermediates.

208 The binding energy of an electron in a material is a fundame

209 The binding energy of an exciton in highly oxidized graphene

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

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

212 center of the surface Brillouin zone with a binding energy of approximately 200 meV.

213 nyl alcohol radical cation, which exhibits a binding energy of approximately 42 kcal/mol and a very s

214 Using transition-state theory, we derive the binding energy of CO to Pt(111) terraces, D(0)(terr) (Pt

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

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

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

218 The binding energy of each complex and the observed represen

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

220 red or resisted by collective changes to the binding energy of electrons, the movement of nuclei, or

221 data demonstrate the dependence of the N 1s binding energy of graphitic nitrogen on the nitrogen con

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

223 The presence of surface Na increases the binding energy of O2 and decreases the energy barrier of

224 The binding energy of oil molecule on modified calcite surfa

225 The 12 kcal/mol intrinsic phosphodianion binding energy of OMP is divided between the 8 kcal/mol

226 5 kilojoule per mole (kJ/mol) lower than the binding energy of the adsorbed precursor on IrO2(110), a

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

228 accurately to be 3.4810+/-0.0006 eV and the binding energy of the dipole-bound state is measured to

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

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

231 The 12 kcal/mol intrinsic binding energy of the phosphodianion is shown to be equa

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

233 The binding energy of the water species to the walls is negl

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

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

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

237 onfined iodine exhibits a 3-fold increase in binding energy over CT complexes on various organic adso

238 el that uses a 10-11-bp periodic histone-DNA binding energy profile.

239 the observed vibrational features in the low-binding energy regions of all three NIPE spectra.

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 mutagenesis and comparison of the predicted binding energies reveal the mechanisms of how oncogenic

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

245 In contrast, N53S resulted in a high binding energy score, similar to P51G-m4-CVN.

246 A mutations led to a significant decrease in binding energy scores due to rearrangements of the hydro

247 supported by the X-ray diffraction data and binding energy shifts as observed by X-ray photoelectron

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

249 relative proportion of a 405.1 eV N 1s (XPS binding energy) species in the nanosheets.

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 hat nonionic forces contribute nearly 87% of binding energy suggesting a strong possibility of specif

256 The linear correlation between LA and HA binding energies suggests that the overall binding proce

257 ntensity of the band with the lower electron binding energy suggests that the singlet is the ground s

258 l parameters characterizing the shape of the binding energy surface.

259 ometry with a higher capacity and weaker CO2 binding energy than for the 2:1 stoichiometry observed i

260 ties for pep/MHC, thus limiting the range of binding energies that can be assigned to these key inter

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

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

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

264 ry contributions to it: the average electron binding energy, the nuclear-nuclear repulsion, and multi

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

266 hanism enables the allosteric propagation of binding energy through the connecting helix structures.

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

268 We found the predicted binding energies to be in excellent agreement with our m

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

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

273 luorine and hydrocarbons provide significant binding energy to protein-ligand interactions.

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

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

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

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

278 radient to facilitate the conversion of zinc-binding energy to the kinetic power stroke of a vectoria

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

280 octamers are stable and exhibit a favorable binding energy to the pore.

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

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

283 he tilings are energetically stabilized with binding energies up to 2500 kBT for micrometer-sized pla

284 res are found to correlate with experimental binding energies up to r=0.52 overall and r=0.72 for the

285 Analysis of the components of the binding energy using symmetry-adapted perturbation theor

286 he subtle mass differences caused by nuclear binding energy variation in stable isotopes.

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 , epsilonW55, and deltaW57, the change in LA binding energy was approximately half that in HA binding

290 ibutes compared with the role of the reduced binding energy, we created an alpha-Syn100 variant in wh

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

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

293 of OMP is divided between the 8 kcal/mol of binding energy, which is utilized to drive a thermodynam

294 ecarboxylation of OMP, and the 4 kcal/mol of binding energy, which is utilized to stabilize the Micha

295 Finally, by correlating TF-DNA binding energies with biological properties of the sites

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

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

298 l recognition particle (cpSRP43), which uses binding energy with its substrate proteins to drive disa

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

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