ライフサイエンスコーパス: accessible surface area

1 nearly doubles its conformational space and 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 f triplex binding free energy is the solvent accessible surface area.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

26 backbone conformations and relative solvent-accessible surface areas.

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

28 ased energy function parametrized to solvent accessible surface areas.

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

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

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

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

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

34 The accessible surface area and atomic packing density of th

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

80 Solvent-accessible surface area calculations conducted on the T

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

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

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

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

85 Solvent accessible surface area calculations suggest that surfac

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

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

88 Predicted accessible surface area changes for complete folding agr

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

112 .7kcalmol(-1)M(-1), suggesting a decrease in accessible surface area in the unfolded state.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

127 19 nonconsecutive amino acids with a solvent-accessible surface area of >2,000 A2) of an HIV-1 C-pept

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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