ライフサイエンスコーパス: molecular conformation

1 as an exchange coupler is determined by the molecular conformation.

2 oach may prove generally useful for defining molecular conformation.

3 set of chemical shifts, indicating a single molecular conformation.

4 rption edges that are defined by the twisted molecular conformation.

5 e substitution can have a profound impact on molecular conformation.

6 s characterized by differences in packing or molecular conformation.

7 stent effect of 1,3-difluorides in dictating molecular conformation.

8 ently do not differ for small changes in the molecular conformation.

9 over, aroma lipophilicity appears to reflect molecular conformation.

10 indrance, and hydrogen bonding as well as HA molecular conformation.

11 be the conjugation site, probably because of molecular conformation.

12 tect molecular binding events and changes in molecular conformation.

13 ossible effects of amine group oxidation and molecular conformation.

14 model including relative stereochemistry and molecular conformation.

15 or a force receptor by adopting two distinct molecular conformations.

16 to characterize both the stereochemistry and molecular conformations.

17 ative thermodynamic stabilities of different molecular conformations.

18 rn, used as key signatures of the underlying molecular conformations.

19 l signals through nanometer-scale changes in molecular conformations.

20 ctron chiral asymmetry produced by different molecular conformations.

21 by light-induced conversion of trans and cis molecular conformations.

22 lectron microscopy to adopt disease-specific molecular conformations.

23 The molecular conformation (a 7(5) triple helix) and hydroge

24 ning framework for constructing a dataset of molecular conformations; a large public dataset of diver

25 oderate temperature is enabled by a distinct molecular conformation achieved via the specific interac

26 h demonstrate the importance of the distinct molecular conformations adopted by rotaxanes and catenan

27 The specific molecular conformations adopted in the beta polymorph fa

28 The resulting ground and excited molecular conformations, adsorbed on the surface, are im

29 To date, however, the extent to which molecular conformation affects the force required to pus

30 At a fused-silica surface, molecular conformation and adsorption behavior were foun

31 -Pro-Gly structures demonstrate very similar molecular conformation and analogous hydration patterns

32 ributes to resolving a controversy about the molecular conformation and binding activity of Merlin.

33 oelectronic effects of heterocycles modulate molecular conformation and can impart strikingly differe

34 d both isomers of mandelic acid to establish molecular conformation and correlate the absolute config

35 Analyses of the molecular conformation and crystal packing environment s

36 ptibility measurements were used to evaluate molecular conformation and electron spin exchange coupli

37 However, the relationship between molecular conformation and function is unclear.

38 y-afterload mismatch, brings back a TnI-like molecular conformation and function to reduce ventricula

39 Our results demonstrate that molecular conformation and internal connectivity are cri

40 lations also reveals the extent to which the molecular conformation and local environment of the func

41 The changes in gluten molecular conformation and network structure induced by

42 Intramolecular H-bonds govern molecular conformation and play critical roles in pharma

43 The overall molecular conformation and protein folding of the three

44 harmacokinetics by introducing an asymmetric molecular conformation and surface charges for rapid tra

45 izing the influence of ortho-substituents on molecular conformation and the energetics of intramolecu

46 d that the dipeptide complexes have the same molecular conformation and the same binding of the dipep

47 neutral Ca dimers and monomers with diverse molecular conformations and an order of magnitude lower

48 , the model is directly applicable to unseen molecular conformations and chemical elements.

49 a that depended sensitively on the different molecular conformations and corresponding electronic sta

50 theory yield quantitative information about molecular conformations and dynamics under nonperturbing

51 on judicious application of knowledge about molecular conformations and interactions: filling of lip

52 described AB fibril structures, both in its molecular conformations and its organization of cross-B

53 nding intermolecular interactions, change of molecular conformations and molecular aggregations.

54 s can lead to two very different solid-state molecular conformations and packings: One in which the t

55 is result was unexpected, given the distinct molecular conformations and property profiles of the odo

56 We make use of exhaustive lattice models of molecular conformations and reduced alphabet sequences t

57 We use NMR to determine 3D molecular conformations and structural preorganization f

58 of solvent quality and salt concentration on molecular conformations and the intrinsic viscosity of t

59 covery by creating comprehensive datasets of molecular conformations and their properties.

60 The changes in molecular conformations and vibrational modes can have s

61 of the pronounced sensitivity of ECD toward molecular conformation, and a clear warning against the

62 oteins is influenced by amino acid sequence, molecular conformation, and the presence of molecular ad

63 e, cooperative interaction, (ii) interfering molecular conformations, and (iii) aggregate forms.

64 Chirality and molecular conformation are central components of life: b

65 Different molecular conformations are associated with these differ

66 tice, allowing one to witness changes in the molecular conformation as adsorbate-adsorbate interactio

67 uling out changes in the contact geometry or molecular conformation as the source for the conductance

68 n (TR-SFX), showing extensive changes in its molecular conformation at 1 picosecond delay time.

69 robability hydrogen-bonding arrangements and molecular conformation at two positions.

70 mmetry of the ligands substitution patterns, molecular conformation, average intercluster distances,

71 grees forward correlated rotation causes the molecular conformation between the octyl and the anthrac

72 roof that methotrexate has not one preferred molecular conformation but may freely rotate about sever

73 uble layers responded with a swift change in molecular conformation, but anionic layers adopted a pol

74 d by their influence on hydrogen bonding and molecular conformation, can profoundly influence competi

75 This type of molecular conformation change provides a new strategy fo

76 electivity via programmable base pairing and molecular conformation change, and durable target captur

77 D), are highly sensitive techniques to probe molecular conformation, configuration, solvation, and ag

78 Thus, molecular conformation controls the relative amounts of

79 on suddenly so that the entire evolution of molecular conformation could be observed without initial

80 understandable in terms of the corresponding molecular conformations determined by near-edge X-ray ab

81 noncovalent interactions in influencing the molecular conformations differentially in different stat

82 able or even multiple states by manipulating molecular conformations, dipole orientations, spin state

83 a fusion-constrained or a fusion-permissive molecular conformation, directed by specific intramolecu

84 The method presented here refines molecular conformations directly against projections of

85 New in vitro ways of revealing molecular conformation, diversity and dynamics can find

86 e studies demonstrate that subtle changes in molecular conformation due to a single sequence inversio

87 n frameworks can exert strong influence over molecular conformation due to dipole minimization effect

88 t to amides can have important influences on molecular conformation due to stereoelectronic effects e

89 ly flexible host molecule, ABTPA, adapts its molecular conformation during activation to initiate a f

90 to our knowledge, the first direct probe of molecular conformation dynamics during this fundamentall

91 of their molecular weight, r.m.s. radius and molecular conformation (e.g., round, rod-shaped, compact

92 Molecular conformations from MD simulations are used to

93 model surpasses existing methods, improving molecular conformation generation by over 10% and 20% ac

94 Molecular conformation has an important role in chemistr

95 -couplings to establish atomic connectivity, molecular conformation, heteroatom identity, intramolecu

96 (catechol, guaiacyl and carboxyl group) and molecular conformation in antioxidative potency of dihyd

97 wding plays a significant role in regulating molecular conformation in cellular environments.

98 Site-specific couplings can inform us of molecular conformation in detail.

99 method(2-16) capable of revealing details of molecular conformation in solution(17,18) would allow a

100 e bond dissociation energies but also by the molecular conformation in the crystal.

101 ometry allowed the disclosure of the overall molecular conformation in the solid state and the charac

102 l-chain, which enables the switching of four molecular conformations in a controlled manner.

103 t the OSDAs are flexible and adopt different molecular conformations in channels with identical struc

104 dimensional solid-state NMR spectra indicate molecular conformations in d,l-AB40 fibrils that resembl

105 ingle molecules critically depend on dynamic molecular conformations in nanoscale junctions.

106 mpedimetric DEP response of DNA of different molecular conformations in practical settings.

107 t SERS signals can be switched on and off by molecular conformations in response to pH.

108 We find that the molecular conformations in the ground state are differen

109 istent with the hypothesis that the strained molecular conformations in the odd diacids are the reaso

110 ct a confined space has on the chromophore's molecular conformation (including disruption of strong h

111 These studies suggest that the entire molecular conformation, including the flexible middle po

112 Surprisingly, the predominant molecular conformation, indicated by (13)C NMR chemical

113 ugh a lock and key mechanism, where a unique molecular conformation is formed upon binding.

114 ing of how junction conductance changes with molecular conformation is not yet available.

115 and controlling solid-state morphologies and molecular conformations is the key to optimizing the pro

116 coupling and are caused by a distribution of molecular conformations, likely important for the biolog

117 The unique molecular conformation locks out nonspecific intercalati

118 significant implications for making precise molecular conformation manipulations and tuning controll

119 Here, we have characterized its molecular conformation, membrane alignment, and dynamic

120 heoretically calculated values for simulated molecular conformations obtained from Molecular Dynamics

121 We appraise the Braak hypothesis from molecular (conformations of aSyn), cell biological (cell

122 The molecular conformation of alpha-actinin's actin-binding

123 cross-coupling reactions and control of the molecular conformation of anilides by resonance effects.

124 f brain clusterin may lead to changes in the molecular conformation of clusterin, and thus, may resul

125 After vibrationally exciting a single molecular conformation of cyclopropane carboxaldehyde ab

126 n type I supermolecular structure, where the molecular conformation of each collagen segment found wi

127 oints unexpectedly to a strong change of the molecular conformation of humic acid (HA) with a predomi

128 d, but our ability to exert control over the molecular conformation of individual polymers is very li

129 close the importance of minor changes in the molecular conformation of organic cations have an effect

130 The molecular conformation of peptide fragment 105-115 of tr

131 We describe the molecular conformation of PI3-SH3 in amyloid fibril form

132 The molecular conformation of proteins is sensitive to the n

133 Computer simulations revealed a preferred molecular conformation of the 5-carboxamide group of CBZ

134 ex changes corresponding to modifications in molecular conformation of the adsorbate molecules is int

135 portant constraints to better understand the molecular conformation of the agonist-bound receptor.

136 lla pneumoniae nitrogenase and show that the molecular conformation of the protein that contains only

137 ed approach also simultaneously verifies the molecular conformation of the two hydroxy groups in terr

138 ibit ultrasonic degradation by adjusting the molecular conformation of the xanthan.

139 Our work indicates that the molecular conformation of tubulin contributes to the reg

140 ven by kinesin motors, is susceptible to the molecular conformation of tubulin in neurons both in vit

141 he spatial control of loop A, the particular molecular conformation of which enables the assembly of

142 The structure shows the molecular conformations of all three gates at 3.7 A, the

143 putational molecular dynamics (MD) to assess molecular conformations of apo- and holo-forms (respecti

144 putational molecular dynamics (MD) to assess molecular conformations of apo- and holo-forms (respecti

145 and biochemical assays, we have examined the molecular conformations of reconstituted globular AbetaP

146 The molecular conformations of salmon calcitonin in aqueous

147 of dihedral angles along the chains and the molecular conformations of the polyunsaturated chain of

148 onor, donor-acceptor strength, and change in molecular conformation on use of spacer.

149 fl-C4, and fl-C10 adopted primarily extended molecular conformations on the hydrophobic surface.

150 However, differences in molecular conformation or electrode contact geometry, th

151 states are thought to result from different molecular conformations or post-translational modificati

152 re scanning tunneling microscopy allowed the molecular conformation, orientation, and monolayer cryst

153 alculations find two energetically favorable molecular conformations, projecting mirror-image chiral

154 ration influences the efflux by altering the molecular conformation rather than proximal heteroatom b

155 is study, we apply the recently developed 3D molecular conformation representation learning algorithm

156 al. have completed our understanding of the molecular conformations required for cellular electrical

157 Different molecular conformations result in different dipole momen

158 Computational investigations on molecular conformations reveal that N-methylation of the

159 An analysis of PQS trajectory and molecular conformation revealed sequential events critic

160 pplied for the whole molecule and an average molecular conformation satisfying all experimental data

161 of rigid analogues which mimic the preferred molecular conformations (shapes) of these ligands.

162 ns illustrate that the relative stability of molecular conformations should be included as a potentia

163 owed that the N-terminal domain (N-Rb) has a molecular conformation similar to that of C-Rb.

164 ecules is highly variable and depends on the molecular conformation that develops during stretching.

165 787 position undergoes a relative change in molecular conformation that is associated with the slow

166 id not form, the oxamide adopting an unusual molecular conformation that maximizes intramolecular hyd

167 gy function by directly learning to generate molecular conformations that are energetically favorable

168 RNAs fold into distinct molecular conformations that are often essential for the

169 that the ditryptophan stabilizes a subset of molecular conformations that are protease resistant but

170 ves insight into the fibril morphologies and molecular conformations that can be adopted by this prot

171 Applying a correlative approach to connect molecular conformation to aggregation in alpha-synuclein

172 (BTBM-CN(2)) was designed by the strategy of molecular conformation torsion adjustment ratio fluoresc

173 The platform also generates new molecular conformations using molecular dynamics with th

174 rationalized in terms of the free energy of molecular conformations visited before and after the mot

175 d ligand shapes with the set of all possible molecular conformations, we provide a quantitative asses

176 D rhodopsin undergoes spontaneous changes in molecular conformation which activate the transduction c

177 system and have only a marginal influence on molecular conformations which so far have most often att

178 ed, in which the four PDIs form a cross-like molecular conformation while still partially conjugated

179 Both macrocycles show the unique molecular conformations with a (quasi) figure-of-eight t

180 which the Mcm5-bob1 protein assumes a unique molecular conformation without prior action by either ki

181 DNA) are often used to obtain histograms of molecular conformation without resorting to sample immob