ライフサイエンスコーパス: homology modeling

1 e shifts for the RRM2,3 isolated domains and homology modeling.

2 p analogues using fluorescence titration and homology modeling.

3 structure determination and inaccessible to homology modeling.

4 states of the CFTR gating cycle by means of homology modeling.

5 combination of cryo-electron microscopy and homology modeling.

6 ural models for the RbTI were predicted with homology modeling.

7 ity labeling, site directed mutagenesis, and homology modeling.

8 ical techniques, computational modeling, and homology modeling.

9 yo-EM), cross-linking mass spectrometry, and homology modeling.

10 problem of accurate loop refinement for GPCR homology modeling.

11 abling prediction of the VZV gH structure by homology modeling.

12 ignments of multiple template structures and homology modeling.

13 ructure-based PPI predictions that go beyond homology modeling.

14 in this case by electron cryomicroscopy and homology modeling.

15 renergic receptor was used as a template for homology modeling.

16 models of mid-range quality based on remote homology modeling.

17 eriments, mutagenesis, ELISA, and structural homology modeling.

18 into these kinetic differences acquired via homology modeling.

19 otein was available, a 3D model was built by homology modeling.

20 heir function(s), despite their discovery by homology modeling a decade ago.

21 Using homology modeling, a VCOP mutant with two substitutions

22 mined crystallographically were predicted by homology modeling according to the amino acid sequence.

23 Structural homology modeling allowed us to propose specific feature

24 o a degree that was not possible with static homology modeling alone and provided a deeper rationaliz

25 Homology modeling also showed that among some, but not a

26 Results from homology modeling analyses suggest that the unusual stru

27 Homology modeling analysis suggests that the inhibitory

28 Our study used homology modeling and a coarse-grained model to generate

29 tudy demonstrates that the integrated use of homology modeling and a multiscale refinement protocol t

30 tructural-functional classification based on homology modeling and a search for diagnostic catalytic

31 its entries, making it a useful resource for homology modeling and active site identification studies

32 is essential for a variety of tasks such as homology modeling and active site prediction.

33 We used homology modeling and analyses of the solution and membr

34 processes has been studied effectively using homology modeling and applied to ligand design.

35 Using homology modeling and binding and contractility assays w

36 Homology modeling and biochemical analysis indicates tha

37 Homology modeling and comparative analysis of NepR, PhyR

38 thod to predict these interactions, based on homology modeling and computational docking of the virus

39 Homology modeling and computational docking studies indi

40 dies, and these studies are supported by MCT homology modeling and computational inhibitor-docking st

41 and the TK2 clade of vertebrates followed by homology modeling and discrete molecular dynamics calcul

42 Results obtained from homology modeling and docking explain the observed selec

43 leverages available structural data through homology modeling and docking of possible products into

44 finity and efficacy could be rationalized by homology modeling and docking of these hypermodified nuc

45 s of deduced amino acid sequence, phylogeny, homology modeling and docking simulation.

46 We used homology modeling and docking studies to guide fragment

47 six mutant receptors in vitro and then used homology modeling and dynamic simulation to predict drug

48 Homology modeling and in silico analysis of the GmSACPD-

49 igand-receptor binding mode prediction using homology modeling and in silico docking approaches.

50 Homology modeling and in silico mutagenesis suggests tha

51 ane-binding proteins through high throughput homology modeling and in-depth calculation of biophysica

52 Using homology modeling and ligand docking for binding pocket

53 By using in silico homology modeling and ligand docking, we provide insight

54 Homology modeling and lipid-protein-overlay assays showe

55 enzymes by computational methods, including homology modeling and metabolite docking, which suggeste

56 Guided by homology modeling and molecular docking, we hypothesized

57 Homology modeling and molecular dynamics of the CslF6 pr

58 Homology modeling and molecular dynamics simulation stud

59 Homology modeling and molecular dynamics simulations sug

60 s, we developed a new approach that combined homology modeling and molecular dynamics simulations to

61 -carbonic and gamma-carbonic anhydrases, and homology modeling and molecular dynamics simulations wer

62 nctional studies are supported by structural homology modeling and molecular dynamics simulations, su

63 Here, by integrating homology modeling and molecular dynamics, we generated a

64 Homology modeling and molecular mechanics were used to b

65 ture was solved using a novel combination of homology modeling and molecular replacement.

66 Homology modeling and mutagenesis identified a cluster o

67 Homology modeling and mutagenesis study showed that the

68 Homology modeling and mutational analysis demonstrated a

69 netic studies in combination with structural homology modeling and NMR spectroscopic analyses to iden

70 Homology modeling and normal mode analysis demonstrated

71 Using homology modeling and phylogenetic analyses, we present

72 hepatitis E virus capsid model, we performed homology modeling and produced a complete, T = 3 astrovi

73 studies demonstrate the potential utility of homology modeling and protein structure analysis for eng

74 Template-based modeling, including homology modeling and protein threading, is the most rel

75 Here we combine homology modeling and quantum chemical calculations with

76 Homology modeling and rat PK/PD studies on benchmark com

77 iamine pyrophosphate and Mg(2+) was built by homology modeling and refined by molecular dynamics simu

78 -electron microscopy density-map-constrained homology modeling and refinement.

79 rmance of the constrained de novo method for homology modeling and rigid-body docking and present the

80 Furthermore, homology modeling and SAXS allowed the construction of a

81 Using homology modeling and site-directed mutagenesis, hNK(1)-

82 To investigate this further, we used homology modeling and structural comparison to identify

83 gions of experimental structures, useful for homology modeling and structure prediction of receptors.

84 Through the use of homology modeling and structure threading, NDR1 was pred

85 Using homology modeling and structure-based design, specific s

86 ndem Winged-Helix domains [6], and, by using homology modeling and structure-function analysis, we id

87 The predicted three-dimensional homology modeling and substrate docking suggested the pr

88 structure of the pro-domain was obtained by homology modeling and suggested that a pro-peptide Lys r

89 of the RyR1 pore-forming region, obtained by homology modeling and supported by mutational scans, ele

90 ized into template-based modeling (including homology modeling and threading) and free modeling.

91 of ECE2 that we had identified previously by homology modeling and virtual screening of a library of

92 nnel crystal structures (templates for KCNQ1 homology-modeling) and KCNE1 NMR structures.

93 de transport with site-directed mutagenesis, homology modeling, and [(3)H]adenosine flux measurements

94 tudy, we utilized site-directed mutagenesis, homology modeling, and assays with a peptide library to

95 e allosteric modulator (NAM) by mutagenesis, homology modeling, and competition studies with positive

96 with information from X-ray crystallography, homology modeling, and cryo-electron microscopy by an in

97 vious structural data of individual domains, homology modeling, and flexible fitting to SAXS data usi

98 a combination of site-directed mutagenesis, homology modeling, and ligand-docking simulations to ana

99 g mutagenesis of AuIB and alpha3beta4 nAChR, homology modeling, and molecular dynamics simulations to

100 chain repacking, including x-ray refinement, homology modeling, and protein design, the accuracy limi

101 his result, together with sequence analysis, homology modeling, and SAR, allows us to propose CPD4 as

102 n protein-protein interaction trap strategy, homology modeling, and site-directed mutagenesis, we ide

103 s for the differences based on a full-length homology modeling approach.

104 orresponding P2Y(14)R region is predicted by homology modeling as a deep, sterically limited hydropho

105 provides an improvement over single-template homology modeling, as evaluated by the accuracy of rigid

106 Functional data and homology modeling assisted identification of critical am

107 with the receptor based on a conformational homology modeling associated with docking simulations.

108 ty of receptor-bound C2 groups was probed by homology modeling based on recent X-ray structure of an

109 Three-dimensional homology modeling based on the crystal structure of YiiP

110 Homology modeling based on the ING4 structure suggests t

111 Homology modeling, bioinformatic analyses, and an assay

112 isms underlying nAChR lipid sensing, we used homology modeling, coevolutionary analyses, site-directe

113 Homology modeling combined with in silico docking of lys

114 Homology modeling, combined with a recently reported cry

115 tive approach of multi-resolution filtering, homology modeling, computational simulation of mismatche

116 Homology modeling confirmed a critical role for the R213

117 class for pharmaceutical therapies in which homology modeling could fill the knowledge gap for struc

118 We sought to determine whether homology modeling could identify putative determinants o

119 Such homology modeling could prove useful in designing molecu

120 also showed the mutant structures created by homology modeling could reproduce the difference of dyna

121 -repeat bivalent tetramer was produced using homology modeling coupled with chemical cross-linking.

122 veloped a structural model of Hsp21 based on homology modeling, cryo-EM, cross-linking mass spectrome

123 Activity profiling, complex isolation, and homology modeling data revealed unique interactions of R

124 electrophysiological analysis, together with homology modeling, demonstrates that W583 is part of the

125 etta also has methods for molecular docking, homology modeling, determining protein structures from s

126 g of BSS, a computational approach involving homology modeling, docking studies, and molecular dynami

127 TM) methods, including protein threading and homology modeling, especially when the sequence identity

128 lin and the other ovodefensins calculated by homology modeling exhibit atypical hydrophobic surface p

129 Many applications, such as protein design, homology modeling, flexible docking, etc. require the pr

130 Using homology modeling followed by docking, we identified key

131 Using molecular homology modeling for Tob55 and cryoelectron microscopy

132 COG2252 genes of Escherichia coli K-12 with homology modeling, functional overexpression, and mutage

133 advances in the structural biology of GPCRs, homology modeling has been carried out to rationalize bi

134 the 398 membrane proteins, while those from homology modeling have TMscore>0.5 for only 10 of them.

135 Homology modeling identifies striking similarities betwe

136 Homology modeling illustrates modes of resistance result

137 e recognition of FasL using a combination of homology modeling, immunoprecipitation, hydrogen-deuteri

138 Here, using homology modeling in combination with mutagenesis and el

139 g evolutionary trace analysis and structural homology modeling in conjunction with site-directed muta

140 Using homology modeling in conjunction with site-directed muta

141 ard such distortions, as observed for remote homology modeling in the latest CASP8 (Comparative Asses

142 y using nondenaturing MS, cross-linking, and homology modeling in which EtfA, -B, and -C each contain

143 the purified recombinant protein, molecular homology modeling, in vivo stable isotope labeling, and

144 nctional studies, extensive mutagenesis, and homology modeling indicate the following mechanism.

145 cation in melanoma-associated antibodies and homology modeling indicated differential potential antig

146 rRpm1 induces phosphorylation of AtRIN4, but homology modeling indicated that AvrRpm1 may be an ADP-r

147 Mechanistically, homology modeling indicated that the beta3-alpha3 loop d

148 Homology modeling indicated that the mutation altered sa

149 Homology modeling indicated the presence of the conserve

150 Homology modeling indicates that Asn-32 and Asn-104 are

151 Homology modeling indicates that Pro(392) may play an im

152 Homology modeling indicates that the HARP domain is simi

153 Three-dimensional homology modeling indicates that the side chains of Gln-

154 of improved threading algorithms for remote homology modeling is a critical step forward in template

155 Homology modeling is a powerful tool for predicting a pr

156 Homology modeling is used to bridge this gap but relies

157 erived structure-activity relationships with homology modeling leads to new detailed insights in the

158 Using homology modeling, ligand docking, and molecular dynamic

159 based virtual screening strategy, comprising homology modeling, ligand-support binding site optimizat

160 Homology modeling localized His247 to the large loop sep

161 an interdisciplinary approach that included homology modeling, MD simulations, and biophysical and b

162 Current homology modeling methods for predicting protein-protein

163 ngineering of new alpha4beta2-nAChR ligands, homology modeling methods, combined with in silico ADME

164 Using structure-activity, homology modeling, molecular docking, and mutagenesis st

165 Homology modeling, molecular dynamics simulations, and l

166 By combining homology modeling, molecular dynamics, cysteine cross-li

167 As was expected from homology modeling, mutation of three TM5 serine residues

168 Together with homology modeling, mutational data, quantum mechanical c

169 bcellular localizations, haplotypes, protein homology modeling, mutational, and expression analyses.

170 erent and complementary techniques including homology modeling, network theory, and machine learning.

171 sigma values by performing the single-domain homology modeling of 22 CASP9 targets and 24 CASP10 targ

172 Homology modeling of ABCG2 places the TXXXGXXXG motif at

173 Homology modeling of Aspergillus fumigatus DHODH has ide

174 Homology modeling of BjNRAMP4.1 suggested that it could

175 Protein homology modeling of both the AGPATs with glycerol-3-pho

176 The CC4 structure, together with homology modeling of CC1, reveals the surface locations

177 Using homology modeling of ENaC structure and site-directed mu

178 Thus, homology modeling of GPCRs remains a useful technique in

179 Homology modeling of human SERT (hSERT), based on high r

180 Homology modeling of its major structural subunit, CotA,

181 Homology modeling of m-tomosyn-1 based on the known stru

182 he highest impact as potential templates for homology modeling of other GPCRs, if their structures we

183 In this work, we used homology modeling of OX receptors to direct further SDM

184 sequence (the twilight zone), where standard homology modeling of protein complexes is unreliable, ou

185 P variants to peptide selection, we combined homology modeling of TAP with experimental measurements

186 These findings were combined with homology modeling of the A1 receptor and in silico scree

187 Homology modeling of the beta(2) subunit using the cryst

188 NMR binding studies in combination with homology modeling of the bound beta-mannan antigen sugge

189 Interestingly, our biochemical data and homology modeling of the CAT domain suggest that Arg-285

190 The procedure includes homology modeling of the DARPin, modeling of the flexibl

191 Protein homology modeling of the deduced novel mutations (P35 de

192 of the mutations were rationalized based on homology modeling of the Dmp53 DNA-binding domain, sugge

193 l fold of the domains and were used to guide homology modeling of the ECD.

194 of evolutionary and biochemical analyses and homology modeling of the Galpha and RGS proteins to addr

195 Homology modeling of the KCNQ1 channel based on the Kv1.

196 Homology modeling of the mispair-binding domain (MBD) of

197 Homology modeling of the modifying enzyme DpdA provides

198 Sequence comparison and structural homology modeling of the N-terminal domain of LtpM uncov

199 Finally, we performed homology modeling of the pore region of wild-type and mu

200 Homology modeling of the protein and its oligosaccharide

201 Homology modeling of the protein F tertiary structure re

202 In this study, we used homology modeling of the rat P2X2 receptor with the zebr

203 Homology modeling of the RbgA switch I region using the

204 In addition, homology modeling of the receptor and docking studies fo

205 alytic residues were shown to be proximal by homology modeling of the SHFV nsp1s on porcine respirato

206 Sequence comparisons and homology modeling of the structures identify a few key a

207 the former prototypic rhodopsin template for homology modeling of the transmembrane (TM) region of hu

208 Homology modeling of UNC-89's SH3 suggests structural fe

209 Homology modeling of YdgR, Cam docking, and mutational s

210 corroborated by the conservation pattern and homology modeling on the recently described x-ray struct

211 alysis of the cognate gp120 sequence through homology modeling places this potential epitope near the

212 ates with a specificity similar to APTs, and homology modeling points toward an APT-like enzyme.

213 residue for Rab-GAP function, and in silico homology modeling predicted impaired GAP function in the

214 Homology modeling predicted Nan KLF1 binds CACCC element

215 Homology modeling predicted the binding conformation of

216 Homology modeling predicts protein structures using know

217 Homology modeling predicts that contact between the enve

218 Homology modeling predicts that phosphorylation at T131

219 Homology modeling predicts that position 596 directs pro

220 Structural homology modeling predicts that this protease adopts a f

221 Homology modeling predicts that WDR-23 folds into a beta

222 o X. laevis AHRs (A364, A380, and N335), and homology modeling predicts they protrude into the bindin

223 is important for many applications including homology modeling, protein docking, and for placing smal

224 Using a combination of homology modeling, protein-protein interaction, and kina

225 data combined with biophysical analyses and homology modeling provide a molecular understanding of t

226 ifugation, small-angle x-ray scattering, and homology modeling provide insight into TNPO3 architectur

227 Homology modeling revealed conserved three-dimensional s

228 Homology modeling revealed glutamyl and aspartyl residue

229 Structural homology modeling revealed that several of the BCL11B mu

230 Homology modeling reveals that the beta4-beta5 linker ph

231 Sequence alignment and homology modeling showed distant homology between GP38 a

232 icella-zoster virus (VZV) gB is limited, but homology modeling showed that the structure of VZV gB wa

233 Sequence alignment and homology modeling showed that the subtype-specific effec

234 Structural analysis and protein homology modeling showed the presence of spontaneous mut

235 Homology modeling shows that the scramblase domain forms

236 vity relationship, pharmacological analysis, homology modeling, species ortholog comparisons, and mut

237 Protein homology modeling studies showed significant structural

238 X-ray diffraction studies and homology modeling suggest that their N-terminal regions

239 Homology modeling suggested alterations in the class I a

240 of ORF16 eliminated pigment production, and homology modeling suggested that ORF16 shares a structur

241 Homology modeling suggested that the Glu-221 side chain

242 Sequence conservation and homology modeling suggested that the insertion in the gu

243 Homology modeling suggested that the primary V3 loop bnA

244 Homology modeling suggested that the structure of region

245 sed on MHC-II eluted peptides and structural homology modeling suggested that variants in the RT1-B P

246 Comparative homology modeling suggested the active site residues Asp

247 Structure homology modeling suggested the involvement of several a

248 Homology modeling suggests that gamma(2)Arg43, gamma(2)G

249 Homology modeling suggests that the Ebola virus polymera

250 Homology modeling suggests that the effects of the F344

251 In agreement with our findings, homology modeling suggests that the very C-terminal resi

252 Structural homology modeling suggests this Nab3 'tail' forms an alp

253 Here, homology modeling supported the alternating access trans

254 Homology modeling supports the concept that the ADPH C t

255 Structure-based drug design combined with homology modeling techniques were used to develop potent

256 alytic (CAT) domain or residues predicted by homology modeling to be close to DNA in the core-binding

257 ining an alpha4(D204C) mutation predicted by homology modeling to be within reach of the reactive pro

258 The distal end of the chain was predicted by homology modeling to bind at the A(3)AR extracellular re

259 We have used homology modeling to construct a model of the N-terminal

260 We use parallel homology modeling to expand the current PTP structure sp

261 This experimental data set was used in homology modeling to guide the positioning of the angiot

262 Here, we used homology modeling to identify a conserved STIM1(448-530)

263 urrent study, we used sequence alignment and homology modeling to identify features common to nonturr

264 otein Data Bank code 3F7T) as a template for homology modeling to identify key amino acids of Arabido

265 Here we use molecular biology and homology modeling to identify residues that line a candi

266 Tyr-418, two residues that are predicted by homology modeling to lie within 2.8 A of each other at t

267 A site-directed mutagenesis study, guided by homology modeling to LuxR and TraR, has revealed three c

268 In addition, we used homology modeling to predict the S1, S2, and S4 subsite

269 of the PG9 light chain at 3.0 A facilitated homology modeling to support the presence of these unusu

270 Based on three-dimensional homology modeling to the Meiothermus ruber subunit I, we

271 ike agonist (E2) of the TSHR, and structural homology modeling to unravel the functional and structur

272 a hybrid approach, using biological data and homology modeling, to study chemokine-GPCR interactions.

273 Recurrence of the motif led us to use homology modeling tools to compute a 3-dimensional struc

274 nal model of cohesin has been constructed by homology modeling using both crystallographic and electr

275 nsional model of the structure of cpSRP54 by homology modeling using cytosolic homologs.

276 structural models of human MFSD2A derived by homology modeling using MelB- and LacY-based crystal str

277 ecular models of the CFTR pore: one based on homology modeling using Sav1866 as the template and a se

278 ilicum gamma-cadinene synthase were built by homology modeling using the template structure of Gossyp

279 nd (2) the extent to which multiple-template homology modeling (using all currently available GPCR cr

280 Ligand-guided homology modeling was applied to wild type receptors and

281 crystal structures of component proteins and homology modeling, we constructed a nearly complete, pse

282 servations, multiple sequence alignment, and homology modeling, we constructed structural models for

283 By homology modeling, we demonstrated that the loss-of-func

284 Using sequence alignments and homology modeling, we designed a DDR2 construct appropri

285 Through homology modeling, we found that MET and GCE possess a C

286 By dynamic homology modeling, we further hypothesized that the cond

287 Based on our crystal structures and homology modeling, we identified five amino acids surrou

288 By homology modeling, we identified the corresponding L596-

289 Using template-based structural homology modeling, we now show that the ectodomain of HA

290 Using structural homology modeling, we propose that phosphorylation on Ty

291 cted mutagenesis complemented with in silico homology modeling, we report the binding modes of two hi

292 Using homology modeling, we show that these amino acids are po

293 This preference was confirmed by homology modeling, which revealed a shallow, hydrophobic

294 large improvement room for multiple template homology modeling while several other MSA tools fail to

295 9% among 31 HoTP structures obtained through homology modeling, while ZDOCK alone returns 14 and 3%,

296 In this paper, we combine homology modeling with coarse-grained (CG) and all-atom

297 eveloped a novel, hybrid approach, combining homology modeling with evolutionary coupling constraints

298 Homology modeling with molecular mechanics and molecular

299 In homology modeling with other calpains, this R243L CAPN5

300 for protein sequence-structure analysis and homology modeling within the interactive visualization c