ライフサイエンスコーパス: rationalization

1 g questions about sacrifices or suggesting a rationalization.

2 ffraction theory or nanohole-based "beaming" rationalizations.

3 Through topological rationalization, a zeotype mesoporous Zr-containing meta

4 This latter finding enables both the rationalization and prediction of catalyst initiation th

5 es are introduced as a tool to assist in the rationalization and prediction of the reactions of nucle

6 dation catalysis is of key relevance for the rationalization and the design of efficient oxygen evolu

7 ions combining teamwork training and systems rationalization are more effective than those adopting e

8 questions, followed by a suggested possible rationalization (based on sacrifices made in medical tra

9 most residents disagreed with the suggested rationalization, exposure to it further increased the pe

10 The model provides structural rationalization for a sizeable body of Taxol structure-a

11 These results provide a rationalization for apparently contradictory reports fro

12 of the 21b--iNOS monomer complex provided a rationalization for both the SAR and the mechanism by wh

13 We provide a structural rationalization for D box and KEN box recognition by coa

14 f substrate base specificity, and provides a rationalization for elements of the likely enzyme mechan

15 -to-female HIV-1 transmission and presents a rationalization for human-based studies to illuminate th

16 he longer heparin oligosaccharide provides a rationalization for its effectiveness as an inhibitor of

17 His207-Arg208 cis peptide bond, providing a rationalization for its spontaneous cleavage.

18 Further rationalization for observed high diastereoselectivity i

19 The electronic rationalization for stereoselectivity is discussed.

20 Mechanistic considerations provide rationalization for the differences between sites in mon

21 r beta-sheet extension to occur, and offer a rationalization for the experimental observation that ov

22 round state information, but also provides a rationalization for the extent to which ground state pro

23 roperties of histidine, a refined structural rationalization for the folding cooperativity of AR prot

24 ially formed, is used to develop a molecular rationalization for the observed trends in helix stabili

25 lexes modified with either monomer provide a rationalization for the opposing stability effects and p

26 m pores in zwitterionic membranes provides a rationalization for the peptide's cytotoxicity.

27 ositively charged guests and also provides a rationalization for the rejection of anionic guests.

28 Such perturbations also provide a rationalization for the reported nonadditivity effect fo

29 Computational studies provide a rationalization for the selective appearance of these is

30 ng interactions with cytisine that provide a rationalization for the stoichiometry selectivity seen w

31 ctive attractions between pores, providing a rationalization for the tendency of bicelle mixtures to

32 positive subsites, thus providing structural rationalization for the unique, single monosaccharide tr

33 g recognized as enigmatic because a chemical rationalization for their biosynthesis has not been obvi

34 Rationalization for these cleavage ratios at Xxx-Pro may

35 stems, and although some questions remain, a rationalization for these results is put forward.

36 pore region is used to provide a structural rationalization for these surprising results.

37 hydrophobic interactions, (b) gives a clear rationalization for why salt exerts different effects on

38 Our results provide simple rationalizations for (i) pronounced even/odd alternation

39 cs simulations with vigabatrin bound provide rationalizations for the inhibitory properties of these

40 s formal dyotropic rearrangement and provide rationalizations for the significant substitution-depend

41 Rationalizations for the small increase in potency are c

42 The crystal structures are able to provide rationalizations for the structure-activity data, and in

43 y of both primary and metastatic lesions and rationalizations for tumor recurrence and therapeutic fa

44 necessary to obtain reliable predictions and rationalizations from theory.

45 on from amino acid derivatives, two distinct rationalizations have been put forward for the relative

46 Such a respiratory system enables rationalization in this organism of an unusual glycolyti

47 A ligand field rationalization is advanced and supported by DFT calcula

48 Rationalization is based on the difference in metal-comp

49 This rationalization is generalized to explain the nominally

50 This rationalization is in agreement with the measured fibril

51 Mechanistic rationalization is proposed for these observations.

52 The observed conformational state allows the rationalization of a model of structurally and chemicall

53 arguments can be justifiably invoked in the rationalization of a particular chemical event.

54 echniques have provided a fully quantitative rationalization of all the experimentally determined R :

55 ronics and sterics has a long history in our rationalization of chemical phenomena.

56 eaction mechanism, our model also allows the rationalization of different chemical yields obtained fr

57 hip-based rational drug discovery or for the rationalization of drug pharmacokinetics.

58 The structure allows rationalization of existing genetic and biochemical data

59 This helps rapid rationalization of experimental data and understanding o

60 e experimental conditions rather than of the rationalization of fluorine effects.

61 The present results provide a rationalization of how F1-ATPase achieves the coupling b

62 tent with experimental results and allow for rationalization of how substitution on the substrate bac

63 for providing a minimalist phenomenological rationalization of in vitro observations regarding the e

64 action between HA and its receptor, allowing rationalization of influenza virus-cell binding quantita

65 wed comparison with acetylcholinesterase and rationalization of its ability to protect insects agains

66 This additional stabilization allows rationalization of its lowered cooperativity within the

67 This topology has been used for rationalization of ligand design and occurs experimental

68 that provides a template for the structural rationalization of other proteins defective in Fanconi A

69 ith a computational analysis that allows for rationalization of paralogue selectivity and defines not

70 The results reported herein allow the rationalization of peroxide detoxification actions infer

71 olecular scale, paving the way toward better rationalization of photoexpansion and the athermal malle

72 The structural data allowed for the rationalization of physical properties of the cyanobacte

73 isual inspection" traditionally used for the rationalization of protein-ligand affinity cannot always

74 In addition to providing a rationalization of relative strand polarity with nucleic

75 The X-ray structure allowed for the rationalization of SAR data and potencies of the compoun

76 the first time a consistent explanation and rationalization of several different experiments that ha

77 inhibition of cationic pLGICs and allows the rationalization of several structural and functional fea

78 These results provide rationalization of some of the findings by others using

79 atic and aromatic chiral amines based on the rationalization of stereoselective three-point interacti

80 DFT calculations led to a clear rationalization of such stereochemical behaviors, pointi

81 ionships of the cinchona amine catalyst, and rationalization of the absolute stereoselectivity by NMR

82 The enhancement of affinities and rationalization of the binding mechanism require structu

83 ransition states by DFT calculations for the rationalization of the catalyst structure-selectivity re

84 twist, and computational studies provided a rationalization of the CD spectra.

85 usion in purely mesoporous materials and the rationalization of the complex concentration patterns re

86 lectivity, which can in part be explained by rationalization of the current reaction mechanism, but n

87 The three structures allow a qualitative rationalization of the differing stabilities of duplexes

88 However, rationalization of the effects of cyclopentadienyl (Cp(X

89 l structure at 1.85A resolution that enabled rationalization of the effects of disease-related mutati

90 rostatic contributions led to a quantitative rationalization of the effects of point mutations on the

91 These structural data allow rationalization of the enzyme's preference for short pep

92 rtaken at the B3LYP/6-31G(d) level permitted rationalization of the experimental data and provided in

93 ism using extensive DFT computations allowed rationalization of the experimental product ratio and it

94 terminal tail and Asp-92, providing a direct rationalization of the experimentally determined role of

95 A general rationalization of the factors that influence both relat

96 a significant advance for the prediction and rationalization of the geometric features of the corresp

97 The structure allows a rationalization of the inability of allo-, altro-, and g

98 Structural rationalization of the incorporation preference opposite

99 The hydrophobic effect--a rationalization of the insolubility of nonpolar molecule

100 Despite their extensive use, a deep rationalization of the main factors controlling the ther

101 We provide rationalization of the mode of binding by solving co-cry

102 ctures of human coronavirus S domains allows rationalization of the molecular basis for species speci

103 Mechanistic rationalization of the observed behavior is presented ba

104 rformed within a TDDFT scheme allowed a full rationalization of the observed ECD spectra of 1 and 2.

105 effects in the supramolecular aggregation, a rationalization of the observed effects on a molecular l

106 gest suitable geometric models that enable a rationalization of the observed experimental preferences

107 level of theory, were in agreement with the rationalization of the observed reactivity.

108 Molecular modeling enabled the rationalization of the observed SAR and supported struct

109 lico docking using a model of AChE permitted rationalization of the observed SAR.

110 and PARP-2 catalytic domain proteins allowed rationalization of the observed selectivity.

111 more, molecular modeling studies allowed the rationalization of the pharmacodynamic properties of the

112 d (-)-endo-4 does not lead to a satisfactory rationalization of the product distribution.

113 e consequences of these observations for the rationalization of the reactivity of the Jorgensen-Hayas

114 a departure from the predictions of TST for rationalization of the regiochemical outcome of the hydr

115 catalyst resting state, which thus provides rationalization of the relative decreased rate of coupli

116 Importantly, these structures allow rationalization of the relative rates and yields of chem

117 omology modeling alone and provided a deeper rationalization of the SDM data obtained.

118 have to be simultaneously accounted for the rationalization of the selectivity obtained with dienoph

119 This Perspective offers a rationalization of the Soai autocatalytic reaction; acco

120 Rationalization of the special role played by butynyl su

121 t 2.8 A resolution, enabling molecular level rationalization of the SPR data.

122 through NMR and VCD spectroscopy and allowed rationalization of the stereochemical outcome of these r

123 All these features allow a rationalization of the structural determinants of the 2'

124 An experimental rationalization of the structure type encountered in DNA

125 Such an analysis allows a rationalization of the trends observed for the pi-electr

126 Rationalization of these contradictions is discussed.

127 Rationalization of these phenomena with a ligand binding

128 The most plausible rationalization of this behavior postulates a decrease i

129 The rationalization of this phenomenon by negative hyperconj

130 Orbital-based arguments allow rationalization of this transition between homoaromatici

131 chanistic hypothesis that suggests a partial rationalization of values of rectification available in

132 The simulation results provide potential rationalizations of a number of experimental observation

133 Different rationalizations of the observed trends had been propose

134 s of the enzyme/substrate contacts suggested rationalizations of the product distribution.

135 This rationalization predicted that Ins(1,4,5)P3 regioisomers

136 conscious self is involved just in post hoc rationalization should also be tested against concrete a

137 Including a rationalization statement further increased gift accepta

138 The suggested rationalization survey (n = 121) presented the same sacr

139 In this rationalization, the negative shift in the formal potent

140 he density functional theory have provided a rationalization to the selective C-5 arylation of N-aryl

141 Rationalization (using rational management, i.e., based

142 This rationalization usually only applies at the genetic leve

143 The selectivity rationalization was made on the basis of different confo

144 ring-driven approaches of modularization and rationalization, which may expand our understanding of t

145 Contrary to previous rationalizations, which indicate dominating steric or el