ライフサイエンスコーパス: accessible surface area

1 ltering its structural properties or solvent-accessible surface area.

2 A2 that accounts for 7% of the total solvent-accessible surface area.

3 score, empirical scoring, and buried solvent accessible surface area.

4 change in total Coulombic energy and solvent-accessible surface area.

5 nearly doubles its conformational space and accessible surface area.

6 f triplex binding free energy is the solvent accessible surface area.

7 osmolyte used, indicating a change in solute-accessible surface area.

8 ximately 30 % increase in the native solvent-accessible surface area.

9 f solvent entropy based simply on changes in accessible surface area.

10 r antibodies occupy approximately 45% of the accessible surface area.

11 provide valuable information on the solvent-accessible surface area.

12 ctories, the contour length, and the solvent-accessible surface area.

13 the conductive pathways but also limits the accessible surface area.

14 ns, as well as conserved interfacial solvent accessible surface area.

15 s based on simple parametrization of solvent-accessible surface area.

16 robust architectures, low density, and high accessible surface area.

17 n a random surface patch of the same solvent accessible surface area.

18 luorine content or changes in apolar solvent-accessible surface area.

19 y, correlates with changes in apolar solvent-accessible surface area.

20 ll with calculated changes in apolar solvent-accessible surface area.

21 he key roles played by surface chemistry and accessible surface area.

22 ber of steric clashes and the scaling of the accessible surface area.

23 tructure, backbone torsion angle and solvent accessible surface area.

24 kJ/mol per 100 A(2) of newly exposed solvent-accessible surface area.

25 spectacular (up to 1200%), increases in gas-accessible surface area.

26 uding hydrophobic stalk with a large solvent-accessible surface area.

27 explained by the change in polar and apolar accessible surface areas.

28 backbone conformations and relative solvent-accessible surface areas.

29 sis of tertiary contact maps and per-residue accessible surface areas.

30 es that involve significant changes of water-accessible surface areas.

31 ased energy function parametrized to solvent accessible surface areas.

32 s selectively free amino sites in the enzyme-accessible "surface" area.

33 involved in ligand binding; and 3) the large accessible surface area (1749 A) of domain L1 of IGF-1R

34 least gyration radius (209 +/- 1.81 nm(2)), accessible surface area (4.09 +/- 0.04 nm) and root mean

35 ce side chains that bury the largest solvent-accessible surface area after forming the complex (> or

36 Root-mean-square fluctuation and solvent-accessible surface area analysis indicated that acyl-PAF

37 lyst, these PtCu(3) nanocages possess a more accessible surface area and a unique hollow structure, w

38 The accessible surface area and atomic packing density of th

39 stal structure-based calculations of solvent-accessible surface area and by hydrogen-deuterium exchan

40 on these discoveries, the amino acid solvent-accessible surface area and dihedral angles were combine

41 ate unfolding of trastuzumab, increasing the accessible surface area and hence resulting in an increa

42 le into very stable NPs with a small solvent accessible surface area and high nonbonding interactions

43 form of an environment free energy based on accessible surface area and interatomic contact areas.

44 n solution that maximizes the buried solvent-accessible surface area and intermolecular contacts.

45 del yielded quantitative values of the water-accessible surface area and its changes by pH and drug b

46 he conventional MM/Poisson-Boltzmann solvent-accessible surface area and MM/generalized Born solvent-

47 of 10 cal mol-1 A-2 of change in side-chain accessible surface area and of 0.95 kcal mol-1 positive

48 nanoporous materials consisting of extremely accessible surface area and shorter diffusion pathways.

49 into foam-like microstructures with a highly accessible surface area and spatially interconnected tra

50 The solvent-accessible surface area and surface-enclosed volume incr

51 structural observables, such as the relative accessible surface area and the interaction energy, can

52 The features used were secondary structure, accessible surface area and the local backbone torsion a

53 hotosensitizing materials require both large accessible surface areas and excitons of suitable energi

54 t the peptides so as to minimize the solvent accessible surface area, and the dimer structures become

55 approximately 1000A(2) of additional solvent-accessible surface area, and the N termini of the 3(10)

56 r groups, according to calculations of water-accessible surface area, and the polar interaction betwe

57 zes of hydrophobic patches and total solvent-accessible surface area, and the prediction of structura

58 ical denaturation rely on changes in solvent-accessible surface area, and there is no notable change

59 due to fast charge transfer kinetics, highly accessible surface area, and tunable electronic and opti

60 sed antibody paratope net charge and solvent-accessible surface area; and (iv) public heavy-chain thi

61 fs such as sequence conservation and solvent accessible surface area are also displayed in the visual

62 anges that occur in polar and apolar solvent-accessible surface area are in very good agreement with

63 M = Ni(2+), Co(2+), Mg(2+), or Zn(2+)), the accessible surface areas are increased dramatically, fro

64 simple proxy for this, the relative solvent-accessible surface area (Arel), therefore shows excellen

65 variations of helical parameters and solvent-accessible surface area around the major and minor groov

66 Here, an osmometric method and a water-accessible surface area (ASA) analysis are developed to

67 ation of salt exclusion from hydrocarbon (C) accessible surface area (ASA) and accumulation at amide

68 These results are consistent with the heme-accessible surface area (ASA) calculated from a computer

69 tes can be used to quantify changes in water-accessible surface area (ASA) in biopolymer processes on

70 nificantly more positive than predicted from accessible surface area (ASA) models of heat capacity.

71 late the magnitude of DeltaCp to the solvent accessible surface area (ASA) of the molecule.

72 explained solely on the basis of changes in accessible surface area (ASA) upon complex formation but

73 erized by several measures including solvent accessible surface area (ASA), residue depth (RD) and co

74 es of rare gases are proportional to solvent-accessible surface area (ASA), whereas the HY values of

75 itted the optimization of the set of solvent-accessible surface areas (ASA) for all amino acids in th

76 tion energies using estimates of the solvent-accessible surface areas (ASA) obtained from hard-sphere

77 gorous method to calculate solvent-dependent accessible surface areas (ASAs) of amino acid residues i

78 in the crystalline state, burying 1140 A2 of accessible surface area at each dimer interface.

79 fs such as conservation strength and solvent accessible surface area at each position are visually re

80 The total buried accessible surface area at the protein-protein interface

81 crystal lattices, burying 1880 angstrom2 of accessible surface area at the trimer interfaces.

82 a new method for the calculation of solvent accessible surface areas at the atomic and residue level

83 ssed particularly in the analysis of solvent-accessible surface areas at the higher temperature.

84 A threshold of 25% relative accessible surface area best segregates amino acids at t

85 ubiquitination, with less than 1,000 A(2) of accessible surface area buried upon complex formation wi

86 presence of either MoaD subunit, the solvent accessible surface area buried upon formation of the sub

87 to correlate with the alterations in solvent-accessible surface area calculated from available high-r

88 oxidation levels with the values of solvent-accessible surface area calculated from molecular dynami

89 simulated isotherms agree very well with the accessible surface areas calculated directly from the cr

90 Solvent-accessible surface area calculations conducted on the T

91 Solvent-accessible surface area calculations determined (22)His

92 Correlating these interactions with water-accessible surface area calculations indicates that the

93 ssible surface area/generalized Born solvent accessible surface area calculations led to the identifi

94 Excluded volume was estimated using accessible surface area calculations of the kind introdu

95 Solvent accessible surface area calculations suggest that surfac

96 surface area and MM/generalized Born solvent-accessible surface area calculations.

97 mplex are correlated with calculated solvent accessible surface area changes and indicate hydrophobic

98 Predicted accessible surface area changes for complete folding agr

99 the quantitative measures of compactness and accessible surface area, concepts that originated from t

100 as radius of gyration, rms distance, solvent-accessible surface area, contact order, and potential en

101 vation-characterizing changes in the solvent-accessible surface areas, correlated with experimental d

102 The charge vs solvent accessible surface area correlations of denatured and in

103 sites and neighboring exchange sites on the accessible surface area define the exchange rate regardl

104 Neither the change in accessible surface area (DeltaASA) nor contributions fro

105 ser, ANCHOR calculates the change in solvent accessible surface area (DeltaSASA) upon binding for eac

106 l, and the hydrophobic effect with a solvent-accessible surface area-dependent term.

107 ed to (i) effective residue-energy score and accessible-surface-area-dependent interface-propensity,

108 a, and there is no notable change in solvent-accessible surface area during the formation of the DMG.

109 With large ion-accessible surface area, efficient electron and ion tran

110 tent, side-chain and water contacts, solvent accessible surface area, etc.) were observed for the str

111 cases where a sizeable difference in solvent-accessible surface area exists between the states involv

112 that only those hydrogen atoms with solvent accessible surface area exposure > or = 8.0 A(2) are sus

113 dical formation energy versus its sterically accessible surface area exposure for these 50 substrates

114 oid size, combine to determine the optically accessible surface area for enhancing sensitivity.

115 ticular, a 3D RVC-Au sponge provides a large accessible surface area for immobilization of enzyme and

116 ns with biomolecules, because of the limited accessible surface area for noncovalent interactions and

117 philic and hydrophobic components of solvent-accessible surface area for several ideal conformational

118 alues, which report on the change in solvent accessible surface area for unfolding, to probe the dena

119 molecular mechanic-Poisson-Boltzmann solvent accessible surface area/generalized Born solvent accessi

120 chromic switching is attributed to the large accessible surface areas (>250 m(2) g(-1)) of these poly

121 pores (up to 200 mum in diameter) and large accessible surface area have been synthesized.

122 ield along with the generalized Born/solvent-accessible surface area implicit solvent model, and they

123 ity indicate a large decrease of the solvent-accessible surface area in SelB, amounting to 43 or 32 a

124 identical to the fraction of buried solvent accessible surface area in the structures of the transit

125 .7kcalmol(-1)M(-1), suggesting a decrease in accessible surface area in the unfolded state.

126 attice which both buried significant solvent-accessible surface area in their interface and could pot

127 ide/MHC bury very similar amounts of solvent-accessible surface area in their transition states.

128 e major groove, and to calculate the solvent-accessible surface areas in each groove separately.

129 nduced changes in nonpolar and polar solvent-accessible surface areas (in square angstroms), respecti

130 mensional structure are buried (<50% solvent-accessible surface area) in the native state.

131 The total loss of solvent accessible surface area is, however, greater for biotin

132 urately measure the absolute average solvent accessible surface area (<SASA>) of amino acid side chai

133 mic friction coefficients computed using the accessible surface area method with the TIP3P model wate

134 rotein systems; however, the popular solvent-accessible surface area model was shown to be incapable

135 ress this issue by supplementing the solvent-accessible surface area model with additional volume and

136 ed with an implicit solvent model (a solvent-accessible surface area model).

137 not be accounted for by conventional solvent-accessible surface area models.

138 esponding geometrically calculated, nitrogen-accessible surface areas (NASAs).

139 y the PF values agreed well with the solvent accessible surface areas obtained from the X-ray diffrac

140 19 nonconsecutive amino acids with a solvent-accessible surface area of >2,000 A2) of an HIV-1 C-pept

141 o at least 250 degrees C and porous, with an accessible surface area of 1,159 m(2) g(-1).

142 s consistent with a net reduction of solvent-accessible surface area of 2370 +/- 550 A.

143 he tetrazolate-based framework MOFF-5 has an accessible surface area of 2445 m(2) g(-1), the highest

144 This material has a high accessible surface area of 3,284 m(2) g(-1) , as measure

145 ticles with radially oriented channels, high accessible surface area of 619 m(2) g(-1), and large por

146 e consistent with a net reduction of solvent-accessible surface area of 711 +/- 189 A2.

147 be divided into direct factors that refer to accessible surface area of cellulose, and indirect facto

148 cleavage patterns to interrogate the solvent-accessible surface area of DNA.

149 a measure of the local variation in solvent-accessible surface area of duplex DNA, and thus provides

150 Approximately 25% of the solvent accessible surface area of each subunit is involved in i

151 r modeling was used to calculate the solvent-accessible surface area of FITC and FMP bound to SERCA c

152 The solvent-accessible surface area of proteins is important in biol

153 The prediction method is based on solvent accessible surface area of residues in the isolated subu

154 The amount of solvent-accessible surface area of SDZ 880-061 buried in the com

155 s to Li(2)S is limited by the electronically accessible surface area of the carbon matrix.

156 on temperature, water chemistry and also the accessible surface area of the coffee.

157 Over 1200 A(2) of the solvent-accessible surface area of the complex are involved in c

158 cholesteryl oleate molecules to the solvent-accessible surface area of the entire ms-HDL particle in

159 s of 97 residues covering 53% of the solvent accessible surface area of the enzyme identifies Trp(215

160 l-shaped cavity enclosing 83% of the solvent accessible surface area of the inhibitor.

161 The solvent accessible surface area of the K1-K10 structure is 20-25

162 ction and/or a term dependent on the solvent-accessible surface area of the molecules.

163 nd deuterium oxide led to an estimate of the accessible surface area of the native protein of approxi

164 The increase in the accessible surface area of the nucleotide is consistent

165 y a term that is proportional to the solvent-accessible surface area of the peptide.

166 variability at a position and the fractional accessible surface area of the residue.

167 nts that captures the atomic composition and accessible surface area of the residues that make up eac

168 The solvent-accessible surface area of the Tg nucleotide increases a

169 cated inhibitors correlated with the solvent-accessible surface area of their N-terminal regions, sug

170 ed hydrogens), which was consistent with the accessible surface area of ubiquitin.

171 The accessible surface areas of amino acid side-chains in fo

172 approach that harnesses the large chemically accessible surface areas of nanomaterials to yield massi

173 the molecular volumes as well as the solvent-accessible surface areas of the constituent charged, pol

174 d on the basis of the changes in the solvent-accessible surface areas of the enzyme and ligand specie

175 lpies calculated from changes in the solvent-accessible surface areas of the galectin binding site up

176 he effects in terms of the difference in the accessible surface areas of the mutant and wild-type sid

177 did not correlate strictly with the (1)O(2)-accessible surface areas of those amino acids.

178 ating that the packing and change in solvent-accessible surface area on unfolding are not unusual.

179 er value demonstrates an increase in solvent-accessible surface area over that of native Cyt c in the

180 otein-protein contact distributions, solvent accessible surface area, porosity, and order, and compar

181 hydrophobicity scale (Eta Phi) and relative accessible surface area (rASA) data provide residue info

182 ulated: solvation potential, hydrophobicity, accessible surface area, residue interface propensity, p

183 xtent of oxidative modification with solvent accessible surface area reveals the method successfully

184 Using solvent-accessible surface area (SASA) analysis, we identify key

185 Solvent accessible surface area (SASA) calculations on all the f

186 dynamics simulation to quantify the solvent accessible surface area (SASA) of beta1 strand residues

187 alent labeling approaches "mark" the solvent accessible surface area (SASA) of proteins to reflect pr

188 kinetics, binding interactions, the solvent accessible surface area (SASA) of the ligands, and stabi

189 The solvent accessible surface area (SASA) of the polypeptide chain

190 arable to native variants stability, solvent-accessible surface area (SASA), and ionic, aromatic, and

191 quare Fluctuation (RMSF), and stable Solvent Accessible Surface Area (SASA), indicating robust ligand

192 s (alpha), electrostatic (beta), and solvent accessible surface area (SASA, gamma) terms.

193 density (ced) as well as changes in solvent-accessible surface areas (SASA).

194 eptide decay rate constants and both solvent-accessible surface areas (SASAs) of methionine residues

195 e combination of radius of gyration, solvent accessible surface area, secondary structure, and hydrog

196 at common assumptions about analyte size and accessible surface area should be revisited for ion-pair

197 trajectories Z-pro-prolinal explores all the accessible surface area, showing multiple entrance event

198 cluster of the iron protein has the largest accessible surface area, suggesting that solvent exposur

199 oaching protein partner, and (iii) a solvent-accessible surface area term that is used to describe co

200 inhibitors solvated in water plus a solvent-accessible surface area term, as an index for cavity for

201 nd structure-based identification of solvent-accessible surface area, the latter does not distinguish

202 as further reduced to 0.5% by introducing an accessible surface area threshold value of 990 A2 per HT

203 e residues that lose a significant amount of accessible surface area through CA-CA subunit contacts m

204 vation energy, and calculates scaled solvent-accessible surface area to account for hydrophobic inter

205 ter using side-chain predictions and solvent accessible surface area to be relevant to a biologic opt

206 shows no correlation with the change in its accessible surface area upon formation of the thrombin-t

207 portionality of m-values to changes in water accessible surface area upon protein unfolding.

208 a native structure for OMCHI1, the change in accessible surface area upon unfolding, deltaASA, was ca

209 didate complexes based on changes in solvent-accessible surface areas upon binding support the NMR an

210 lysine residues with higher relative solvent accessible surface area values (i.e., more exposed) were

211 cal mol-1 K-1) derived from apolar and polar accessible surface area values calculated from several h

212 ional alanine scanning and change in solvent-accessible surface area values for every interfacial res

213 pores providing optimal percolative flow and accessible surface area, was synthesized in the presence

214 r relating molecular surface area to solvent-accessible surface area, we obtain 24 cal/mol A(2).

215 inuum methods (Poisson-Boltzmann and solvent accessible surface area) were performed to estimate the

216 gests that the collapsed state has a solvent accessible surface area which is considerably increased

217 mino acids on TM segments is proportional to accessible surface area, which is a hallmark of the hydr

218 at smaller than the more traditional solvent-accessible surface area, which is the area transcribed b

219 eories relating DeltaCp values to changes in accessible surface area, which rely on the assumption of

220 revealing a positive correlation of solvent-accessible surface area with quenching but not anisotrop

221 y, it is assumed to be linear in the solvent-accessible surface area, with a positive surface tension