ライフサイエンスコーパス: rationalize

1 cess, and (2) habitual behavior is sometimes rationalized.

2 pyridinium systems of Krenske and Harmata is rationalized.

3 uncharacterized families (43%) allowed us to rationalize 65 new candidate loci, including genes mutat

4 Our results help rationalize a number of experimental observations and ca

5 Our structure enables us to map and rationalize a subset of cancer-related mutations in the

6 These findings rationalize a therapeutic strategy to combine dietary ma

7 We have developed and rationalized a biomimetic transformation mimicking halim

8 We report here, and rationalize, a synergistic effect between a non-noble me

9 ditive explanations (SHAP) is introduced for rationalizing activity predictions of any ML algorithm,

10 tiperiplanar hypothesis (BBAH) orbital model rationalizes all of these results by considering hyperco

11 f these underlying interactions is needed to rationalize and predict the regioselectivity.

12 Results were rationalized and compared with the density functional th

13 emonstrate that the EC method can visualize, rationalize, and predict electrostatically driven ligand

14 us disease, and medical microbiology teams), rationalized, and policy-informed, with emphasis on de-e

15 ork provides a structure-based blueprint for rationalizing antibody-mediated targeting of hantaviruse

16 g nirBDC-cysG operon, an observation that we rationalize as a mechanism to protect the bacterial cyto

17 r engagement, gamma-secretase modulation was rationalized as a therapeutic option.

18 , the excellent activity and selectivity are rationalized as the outcome of abundant defective bismut

19 mastering the conjugation of Ab to AuNP and rationalizing, at the molecular level, the mechanisms in

20 high diastereoselectivity observed has been rationalized based on a combination of experimental data

21 hibition compared to carboxamides, which was rationalized based on crystal structure analyses.

22 These trends are rationalized based on electronegativity arguments, the e

23 This is rationalized based on the electron-withdrawing nature of

24 This difference is rationalized based on the electrophilicity of the respec

25 This can be rationalized based on the interplay of the effects of li

26 nt desalination processes are summarized and rationalized based on their working mechanisms.

27 an curvature of the membrane shape, which we rationalize by a scaling law.

28 The VT transition profile is rationalized by (1) the degree of electronic communicati

29 chiral porous networks is observed, which is rationalized by (i) intermolecular pai-pai interactions

30 t the remarkable product distribution can be rationalized by a combination of surface-mediated format

31 r than for related organic materials, can be rationalized by a combination of the thermodynamic drivi

32 The effect of our mutational studies was rationalized by a community analysis based on molecular

33 ided, while the stability of the catalyst is rationalized by a particular conformation of the cis-2,6

34 of time, ranging from ~1 ns to ~mus, can be rationalized by a remodeling of its rugged free-energy l

35 involve brominated intermediates and can be rationalized by assuming a relayed arenium cation attack

36 ward cis-cyclooctene than the thiiranium ion rationalized by calculations suggesting a barrierless pa

37 mechanisms of catalyst degradation have been rationalized by computational analyses, which also expla

38 The shift is rationalized by computations of the infrared spectra of

39 s divergence in mechanistic pathway has been rationalized by considering the stabilization of negativ

40 when biochemical data of ferric proteins are rationalized by constraints derived from crystal structu

41 ne-third of allosteric inhibitors, a finding rationalized by crystallographic analysis of allosterica

42 2] cycloadditions was investigated and fully rationalized by density functional theory (DFT) calculat

43 esolution scanning tunnelling microscopy and rationalized by density functional theory calculations.

44 ed experimentally by deuterium quenching and rationalized by density functional theory calculations.

45 oselectivity of the reaction was studied and rationalized by density functional theory calculations.

46 The observations are further rationalized by detailed analyses of the solid-electroly

47 clusive (3S)-selectivity at fluorine that is rationalized by DFT calculations on a mechanistic model.

48 ectivity (up to 99:1 er, up to ~60:40 dr) is rationalized by DFT calculations.

49 is(aryl)methylpyrrolidine catalyst which was rationalized by DFT calculations.

50 This shift can be rationalized by greater experience, which is potentially

51 hese striking differences in conductance are rationalized by having the location of the Cu(II) coordi

52 This observation is rationalized by introducing the concept of a dynamic, "e

53 e new conditions yielding the anti isomer is rationalized by invoking a reactive rotamer featuring tw

54 ed regioselectivity have been quantitatively rationalized by means of state-of-the-art computational

55 sclosing that the absorption features can be rationalized by molecular exciton theory.

56 e inhibition of HDAC1, HDAC4, and HDAC8), as rationalized by molecular modeling and docking studies.

57 were investigated by cyclic voltammetry and rationalized by reversible binding and extraction of wat

58 ectrum-structure correlations were found and rationalized by state-of-the-art quantum chemical calcul

59 The synergy is rationalized by the ability of the quinazolinones to bin

60 oichiometric amounts of reagents), which was rationalized by the difficulty to accommodate coplanar i

61 In the former case, this was rationalized by the drive to minimize torsional strain i

62 plement regulation by the FHR5 mutant can be rationalized by the enhanced binding of FHR5 oligomers t

63 chlorophyll cofactors is well understood and rationalized by the principle of an "energy funnel", the

64 traction), where the divergent reactivity is rationalized by the relative degree of N-radical charact

65 The presence of multiple pathways is rationalized by the structure of the imidate intermediat

66 These experimental findings are rationalized by transport calculations and also agree wi

67 Relative inhibitory activities were rationalized by X-ray analysis of kinase/flavonoid cryst

68 ch can fill in existing gaps of knowledge to rationalize cellular diversity through function-determin

69 We present and discuss a hypothesis that rationalizes changes in spindle design with spindle size

70 A mechanistic proposal is provided to rationalize chemically the formation and stereochemistri

71 We also rationalize computationally their differing thermodynami

72 pins full malignant progression and helps to rationalize conflicting reports of pro- and anti-tumor e

73 iple datasets using statistical data fusion, rationalizes contributing evidence and highlights associ

74 ecular mechanics calculations to examine and rationalize CR binding to amyloids.

75 logy, which is in accord with Ostwald's rule rationalizing crystal polymorph formation.

76 icable from social cognition, which tends to rationalize deep social inequality.

77 Our results rationalize disease-causing mutations in human ABCB4 and

78 is required to avoid futile transplants and rationalize donor selection.

79 (N>1000 individuals) are major obstacles to rationalize drug-candidate selection.

80 Decreasing morbidity and mortality by rationalizing drug treatment in the critically ill is of

81 Dynamic flexibility between the 2 domains rationalizes efficient S-layer crystal nucleation on the

82 This phenomenon can be rationalized either by assuming that the damaged DNA is

83 pping model has been used for six decades to rationalize electronic charge transport in oxides.

84 energies of dihydroineleganolide is used to rationalize empirical observations and provide insight f

85 , model biophysics of DNA/RNA processes, and rationalize experimental results.

86 The results allow one to rationalize experiments on diffusion in two-dimensional

87 ion required for on-dyad binding which helps rationalize experiments that have consistently demonstra

88 The unusually large semigap rationalizes extremely long lifetimes approaching the mi

89 Activity trends could be rationalized for selected crRNAs using RNP stability and

90 quirement for strongly acidic conditions was rationalized for the first time by the differential evol

91 This selectivity can be rationalized from the distinct conformations observed in

92 ation rate of Abeta42 compared to Abeta40 be rationalized from the sparsely populated high free energ

93 osis has been used as a structural model for rationalizing functional observations in multiple MscL o

94 Thus, it's unclear when - if ever - rationalizing habits would improve reasoning.

95 A reaction mechanism is proposed and used to rationalize how composition and nanoarchitecture control

96 fferent in vivo fate of TD139 and GB1107 and rationalize how different administration routes could bo

97 ase obtained by electron microscopy together rationalize how hC4Nb8 prevents proconvertase assembly t

98 nd time-resolved spectroscopy are applied to rationalize how singlet fission (SF) is affected by syst

99 cycloadditions, and it has been difficult to rationalize how the observed selectivities are achieved(

100 5alpha antiviral function in human cells and rationalize how TRIM5alpha participates in the immune co

101 Free energy simulations rationalized how ThyX recognizes the natural substrate d

102 Together with biochemical assays, it rationalizes how SMG1 and perhaps other PIKKs specifical

103 The resulting integrated framework can also rationalize important functional consequences, for examp

104 ependent phase separation, which on aging is rationalized in a decrease of their effective solubiliti

105 Our results enable shear fracture to be rationalized in ductile rocks and mitigated against in d

106 des and dioxetanes, whose formation has been rationalized in terms of [4+2] cycloaddition and 1,2-cyc

107 These sensitivities have been rationalized in terms of chemical and structural feature

108 We show that this low-energy band can be rationalized in terms of edge states of the constituent

109 transfer to the reaction center is commonly rationalized in terms of excitons moving on a grid of bi

110 e supported by computational studies and are rationalized in terms of stronger van der Waals interact

111 These findings are rationalized in terms of studies demonstrating that dist

112 These observations are rationalized in terms of the greater electron-withdrawin

113 s, and the observed diastereoselectivity was rationalized in the context of the Curtin-Hammett princi

114 microsolvation developed in the present work rationalizes in a straightforward way the biphasic oxida

115 The structure also rationalizes inhibitor escape mutants and mutations obse

116 simple membrane destabilization, helping to rationalize its broader spectrum of pharmacological effe

117 s reside in a highly conserved surface of G, rationalizing its broad reactivity.

118 etic scope as well as mechanistic aspects to rationalize key features of desulfonylation processes.

119 SEPT6 by SEPT8 or SEPT11, it is possible to rationalize Kinoshita's postulate, which predicts the ex

120 bene dioxygenase in S. paucimobilis TMY1009, rationalizing LsdA and LsdB homo- and heterodimerization

121 promise to predict new catalyst structures, rationalize mechanistic behavior, and profoundly change

122 Based on this insight, a way to rationalize mobility trends between different materials

123 n this essential eukaryotic pathway and that rationalizes mutations in patients with Niemann-Pick dis

124 rol during SARS-CoV-2 infection and may help rationalizing new strategies for the treatment of COVID-

125 The differences in the 2 filaments could be rationalized on the basis of differences in cohesive int

126 The nonspectator reactivity of 1a.Fp(+) is rationalized on the basis of electronic structure argume

127 This is rationalized on the basis of mixed-valence Ti(3+)/Ti(4+)

128 e) values show systematic trends that can be rationalized on the basis of the calculated species dist

129 Rationalizing, on the other hand, that precursors that c

130 Our study establishes a framework for rationalizing oncogenic BRAF mutations and provides new

131 e will need to account for the divergence in rationalizing one's actions compared to the actions of o

132 P450 17A1 steps by the drug orteronel can be rationalized only by a multiple-conformation model.

133 subtypes and their biological functions will rationalize oral vaccine design and will provide insight

134 do we perceive the social and natural world, rationalize our behavior, and modify our ways of life?

135 In an effort to rationalize our experimental findings we present a theor

136 We rationalize our observations based on a noisy excitable

137 We rationalize our observations by proposing the first exam

138 We rationalize our observations with a model of collisions

139 Overall, we structurally rationalize phosphorylation of Ins(1,4,5)P3 and PtdIns(4

140 fy context-specific quantitative targets for rationalizing population antibiotic use and controlling

141 ts indicate that SHAP has high potential for rationalizing predictions of complex ML models.

142 new mechanistic understanding may be used to rationalize previously disclosed findings, significantly

143 emergence of these complex behaviors can be rationalized purely in terms of generic couplings betwee

144 Our computational and experimental findings rationalize recent empirical observations that, in the f

145 ing from the "synthetic polymer approach" to rationalize results.

146 We report a framework for rationalizing rhodamine behavior in biological environme

147 in crystallization as an evolutionary driver rationalizes S-layer diversity and raises the potential

148 This theory is used to rationalize scenarios where predicted anomeric stabiliza

149 mulations advanced a myriad of mechanisms to rationalize shear banding.

150 uctures of several new derivatives helped in rationalizing some of the structure-activity relationshi

151 Bombyx mori EH crystal structure was used to rationalize substrate binding.

152 The present work attempts to rationalize such deviations with Density Functional Theo

153 We rationalized such a finding by DFT calculations and prop

154 We rationalize that the passivation behavior is dictated by

155 It is further rationalized that only when the interaction along [101]

156 parted by ambiphilic carbenes, we report and rationalize the absolute templating, the complete exchan

157 modeling studies were carried out to better rationalize the available structure-activity relationshi

158 To rationalize the biological effect of GK-15, molecular do

159 he first structural model to corroborate and rationalize the catalytic properties of FMO1.

160 of other hormone-receptor-driven cancers and rationalize the co-targeting of FOXA1 activity in therap

161 chemically complex mixtures in an attempt to rationalize the commercial utility of natural compounds

162 of density functional theory calculations to rationalize the competing formation of tetrahydropyridon

163 sical core-shrinking mechanism often used to rationalize the complete electrochemical conversion and

164 simulations in model pore geometries help to rationalize the complex interplay between spatial confin

165 mbination with the experimental data, we can rationalize the conformation on the surface as well as t

166 s dynamics in crowded environments, and help rationalize the design of more efficient NP-based transp

167 The distortion-interaction model was used to rationalize the different reactivities of O- and S-subst

168 sis and inspection of these structures helps rationalize the different states formed.

169 nitially, we demonstrate the power of CSP to rationalize the difficulty in obtaining polymorphs of th

170 A computational approach was used to rationalize the effect of functionalization on the free

171 ous voids of chabazite (CHA) zeolites and to rationalize the effects of SDA siting on biasing the fra

172 ions, ASC results appear of limited value to rationalize the empirical use of carbapenems in the ICU,

173 properties of the conjugated aptamers and to rationalize the enhanced binding affinities of the diffe

174 Simulated ion trajectories were used to rationalize the enhanced performance of the APIF, which

175 uantum-chemical calculations, we are able to rationalize the exciton dynamics and draw basic chemical

176 Our IgG2 structures rationalize the existence of the human IgG1, IgG2, and I

177 m is supported by molecular simulations that rationalize the experimental findings by describing the

178 This approach allowed one to rationalize the experimental trends, providing an accura

179 res and geometrical arguments, we attempt to rationalize the factors that under different conditions

180 he structures of the H50Q polymorphs help to rationalize the faster aggregation kinetics, higher seed

181 iken proposed a quantum-mechanical theory to rationalize the formation of such colored EDA complexes.

182 a detailed reaction scheme is constructed to rationalize the formation of the observed species.

183 aboration of a stereochemical model that can rationalize the high stereoselectivity of the biocatalys

184 utational genomics, and molecular studies to rationalize the identification of key variants and candi

185 Altogether, these results verify and rationalize the importance of guanidines for enhanced an

186 CASSCF level of theory was also performed to rationalize the involved mechanism.

187 fate of stalled RFs provides a framework to rationalize the involvement of DNA2 in Seckel syndrome a

188 f corresponding transition states, needed to rationalize the kinetics, remains obscure due to their f

189 distances revealed by the atomic structures rationalize the lack of CATC's binding to triplexes Ta,

190 Our results rationalize the large variety of different reported supe

191 Our results rationalize the many and varied experimental results, pr

192 atic hydrogen pK(a) values have helped us to rationalize the metalation preference by the complex-ind

193 Molecular dynamics simulations rationalize the molecular basis for their activity and s

194 CSP methods and free energy calculations to rationalize the observed elusiveness of the third form o

195 , the calculations are able to reproduce and rationalize the observed enantioselectivity of NCS.

196 g the ligand exchange process was invoked to rationalize the observed kinetics.

197 al and electron beam simulations are used to rationalize the observed patterns.

198 Theoretical studies have been undertaken to rationalize the origin of the enantioselective Diels-Ald

199 tion transition state models are proposed to rationalize the origins of enantiodiscrimination in this

200 QM/MM calculations permit one to rationalize the origins of this Huisgenase activity and

201 otates curated pathways that are relevant to rationalize the pathological consequences of cancer driv

202 rs with increasing frequency been invoked to rationalize the photochemistry of cyclic conjugated orga

203 al and biochemical characterization helps to rationalize the preference of ACAT1 for unsaturated acyl

204 Supporting calculations rationalize the reactivity and aromaticity is corroborat

205 ith mechanistic and spectroscopic efforts to rationalize the reactivity and establish guidelines for

206 The DFT calculations were utilized to rationalize the regioselectivity of the addition reactio

207 molecular dynamics simulations allowed us to rationalize the results in terms of key interactions tha

208 ts are still required in order to be able to rationalize the results.

209 all, our structural and biochemical findings rationalize the role of the unique C7 moiety of sarecycl

210 A mechanism was proposed to rationalize the role of water in changing the reactivity

211 y trends in a model hydroamidation reaction, rationalize the selective activation of amide N-H bonds

212 nally, a molecular docking model was used to rationalize the selective binding between a macrocyclic

213 ynamics simulations have provided a model to rationalize the selectivity of our compounds for PfKRS1

214 DFT calculations have been performed to rationalize the stereochemical course of the reaction.

215 We rationalize the stress state of the sheet and infer the

216 To rationalize the structure-activity relationship of the b

217 Together, our studies rationalize the structure-activity relationships for the

218 small-molecule sEH-P inhibition and helps to rationalize the structure-activity relationships.

219 r printing paths and derive a scaling law to rationalize the transition between dripping and jetting.

220 and positioning of catalytic amino acids to rationalize the underlying electronic reaction mechanism

221 alculations (ab initio and DFT) were used to rationalize the unusual trans stereoselectivity for 6b,

222 ).OEt(2)-catalyzed reactions are proposed to rationalize the Z-selective allyl additions.

223 lations on the M(3) mAChR-resolved structure rationalized the experimental observations.

224 solved the crystal structure of UbV.7.2 and rationalized the molecular basis for enhanced affinity a

225 Guided by computational studies, we have rationalized the observed differences in reactivities an

226 tissue damage in the pathophysiology of GVHD rationalizes the development of cells that support tissu

227 The computational analysis rationalizes the electronic features and high reactivity

228 Nonequilibrium site distribution rationalizes the experimentally observed weak current-de

229 We discuss how the Trl1-LIG structure rationalizes the large body of in vivo structure-functio

230 We propose and test a model that rationalizes the observations in terms of the phase beha

231 This rare insight into intermetallic synergy rationalizes the outstanding catalytic performance and p

232 ls trans-domain structural communication and rationalizes the profound functional effects of binding

233 ta, a mechanistic proposal is discussed that rationalizes the selective and tunable reduction of diox

234 This tutorial review article rationalizes the strategies used so far on COF processab

235 Self-consistent field theory rationalizes the thermodynamic stability of A15 as a con

236 ds light on the phase behavior of water, and rationalizes the transferability of water models between

237 ectronic coupling integrals of 12.1-37.9 meV rationalizing the 3D electron transport, and relatively

238 d sequentially with the fungal subculturing, rationalizing the decreasing on Taxol and melanin yields

239 the importance - and information value - of rationalizing the emotions of ourselves and others.

240 ubstitutions on the two ring nitrogen atoms, rationalizing the expansion of piperazine chemical diver

241 R84 was generated to perform docking studies rationalizing the experimental data.

242 e linear chirp parameter is also helpful for rationalizing the fragmentation mechanism.

243 are very similar and DFT calculations allow rationalizing the interactions between the encapsulated

244 ous protein into an amyloid-competent state, rationalizing the localization of amyloid deposits in DR

245 regulatory-protein networks is important for rationalizing the mechanisms of oncogenesis and for indi

246 stigate the NS binding, has paved the way to rationalizing the molecular basis of NS modulation.

247 This rigidity is key to rationalizing the protection toward aggregation that the

248 Accordingly, we outline an approach to rationalizing the reactivity of arene-protonated metal s

249 f computational chemistry for predicting and rationalizing the stereoselectivity of hydride reduction

250 Nevertheless, models for rationalizing the stereoselectivity of the hydride reduc

251 for pattern development provides a route to rationalizing the surface textures of other secreted str

252 Such a map helps rationalizing the transport properties of the whole fami

253 impact of mutations on protein structure to rationalizing the variants' pathogenicity in terms of th

254 When groups collectively rationalize their actions, entire networks of beliefs an

255 d uH2B, and their effects on Pol II dynamics rationalize their observed enrichment in +1 nucleosomes

256 y of states D(omega) of glasses allow one to rationalize their peculiar low-temperature properties.

257 ssociation with plasma proteins which likely rationalizes their behavior in animals.

258 physical models of flexible biosystems, thus rationalizing their biological function.

259 enetically compact and readily transplanted, rationalizing their presence in diverse bacteria.

260 rucial in the development of mechanistically rationalized therapies.

261 sent a quantitative topological framework to rationalize these experimental observations.

262 Herein, we rationalize these experimental results quantitatively.

263 DFT calculations rationalize these experimental trends demonstrating that

264 We rationalize these results by (i) preferential sorption o

265 We rationalize these results in terms of pore size modifica

266 To help rationalize these results, we solved the X-ray crystal s

267 A comprehensive model that rationalizes these findings is presented.

268 We rationalize this novel transformation using molecular dy

269 To rationalize this observation, we combine experiment and

270 A mechanism is presented to rationalize this out-of-equilibrium behavior that may se

271 show that static abiotic dissolution cannot rationalize this result, whereas two dynamic abiotic dis

272 nal modeling study using DFT methods allowed rationalizing this change of periselectivity: the format

273 In rationalizing this definition, we highlight the various

274 We show and rationalize through a mechanistic analysis the reasons f

275 Its behavior was rationalized through a molecular modeling study consisti

276 Their utility in this space is further rationalized through an examination of the physicochemic

277 These observations were rationalized through density functional theory calculati

278 pattern of the starting polyene and could be rationalized through DFT calculations.

279 the [10]- to [14]annulenes can be uniformly rationalized through the bent bond/antiperiplanar hypoth

280 For SAR that could not be rationalized through the cocrystal complex, we sought to

281 Herein, two distinct synthetic pathways are rationalized to install nitride ligands into targeted po

282 is examined and two empirical equations are rationalized to predict the hydrogen storage capacity of

283 ntly affect the spatial statistics, which we rationalize using a renormalization argument.

284 The self-assembly pathways are rationalized using a combination of mathematical fitting

285 le protons, and the experimental results are rationalized using both analytical and numerical derivat

286 LC-MS, nuclear magnetic resonance (NMR), and rationalized using electronic structure calculations.

287 ivity relationship around 6 is described and rationalized using the X-ray crystal structure of 6 boun

288 This unusual behavior is rationalized via a Hamiltonian that incorporates the int

289 gy is revealed experimentally and is further rationalized via computations.

290 candidate and developed design principles to rationalize why longer alkyl chains or larger ring sizes

291 This rationalizes why a radical mechanism is detected only in

292 IIIa-S1344 to the RNase IIIb catalytic site, rationalizing why mutation of this site phenocopies know

293 ecific tyrosine within the dimerization arm, rationalizing why PRO is required to complement ENZ to f

294 emical and photocatalytic activity have been rationalized with computational modeling, revealing how

295 Our results can be rationalized with de novo structural models of the N-ter

296 models-the electrophysiological data can be rationalized with only the standard set of three conform

297 other commonly encountered antioxidants was rationalized with the aid of a pictorial simile, the "di

298 h this long-chain zwitterionic ligand can be rationalized with the Alexander-De Gennes model that con

299 s accompanying this transformation have been rationalized with the help of time-dependent density fun

300 The effects can be rationalized within the framework of established excited