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1 attice-level carbon structures were explored computationally.
2 made in deciphering gene regulatory networks computationally.
3               Thus, we addressed the problem computationally.
4 known microbial biodegradation was predicted computationally.
5 algorithms has the advantage of being faster computationally.
6 vity of C59NH azafullerene has been explored computationally.
7 ab initio, where conformations are generated computationally.
8  as a ligand was explored experimentally and computationally.
9  selectivity was analyzed experimentally and computationally.
10 oses great challenges both statistically and computationally.
11 es have been investigated experimentally and computationally.
12 ates and transition structures were analyzed computationally.
13 rmational landscape, both experimentally and computationally.
14 ion, as demonstrated both experimentally and computationally.
15 NO-OCT were explored both experimentally and computationally.
16 hing its main physical features, while being computationally affordable.
17              The regioselectivities observed computationally allowed the proposal of a set of rules,
18                     We compared 15 protocols computationally and 4 protocols experimentally for batch
19 The stability of these complexes is assessed computationally and by (31)P NMR spectroscopy in toluene
20 f the material has previously been predicted computationally and confirmed in our experiments using X
21            In addition, we also analyze both computationally and experimentally the interactions of M
22 portance of considering disulfide bonds both computationally and experimentally when studying the mec
23 dothelial cell biomechanics was investigated computationally and experimentally.
24 trategy on the processing of each miRNA both computationally and in vivo.
25 ts structure on the node was elucidated both computationally and spectroscopically.
26 he ability to design synthetic nanomaterials computationally and to optimize them through evolution n
27 wing demand to identify pathogenic mutations computationally, as their experimental validation is cur
28                            In this study, we computationally assembled a large virtual cohort (n = 1,
29                                     Here, we computationally assess how adaptive foraging (AF) behavi
30  of those objects, it becomes fundamental to computationally assess which of the interfaces in the la
31 nteraction, which has also been investigated computationally, augments the fluoride anion binding pro
32 s of the remarkable product was accomplished computationally (B2PLYP-D/TZVP/ZORA), providing insights
33 e conclusion suggests a cautionary note that computationally based insights into molecular evolution
34 -antigen in complex with Sf6TSP were studied computationally by molecular dynamics simulations.
35               Here, we address this question computationally by using the forward-flux sampling algor
36                          Remarkably, we find computationally (CBS-QB3 and G4MP2) that azulenyl nitren
37 lly realistic spiking neurons can solve this computationally challenging problem in a novel way.
38  motifs in biological networks remains to be computationally challenging task as the size of the moti
39 e-explicit individual models which are often computationally challenging.
40  alignments and the analysis of such data is computationally challenging.
41 ns simultaneously in a centralized manner is computationally challenging.
42  approach since it is more precise and still computationally cheap.
43                          This study aimed to computationally compare the performance of acquiring EHG
44 we experimentally constructed and tested the computationally constructed designs.
45 locations and eliminate them before invoking computationally costly alignment algorithms.
46 o known biology is a common task but often a computationally costly one.
47 ics as a function of solvent dielectric, and computationally de novo designed a protein SCPZnI3 to bi
48 parately simulating mutant proteins would be computationally demanding and prone to large statistical
49                           Fold prediction is computationally demanding and recognizing novel folds is
50 o assembly of a large metagenomic dataset is computationally demanding and the assembled contigs are
51              However, this model can be very computationally demanding as it needs to account for the
52 action step to be calculated explicitly with computationally demanding electronic structure theory.
53 esults highlight that the significantly less computationally demanding parallel-region approach is su
54                                 Since this a computationally demanding problem, a first step for this
55 ial neural networks, learning from data is a computationally demanding task in which a large number o
56                                         This computationally demanding task is known as the stereo co
57 he emergence and continuous updates of these computationally demanding technologies require expertise
58       Moreover, elastic models are much less computationally demanding than fully atomistic and coars
59 timation of correlation matrices can also be computationally demanding.
60                                      Here we computationally demonstrate a promising route to achieve
61 tors were integrated with experimentally and computationally derived interactome data to build a RIG-
62                                 Selection of computationally derived model structures of proteins rem
63             Analysis of the experimental and computationally derived optoelectronic properties uncove
64                                              Computationally derived pKa values, NICS aromaticity cal
65                                              Computationally derived structures of the reaction produ
66 d through empirical data set analyses to the computationally derived transition states.
67  at one of these positions renders Bole1a, a computationally derived, ancestral genotype 1a HCV strai
68                                      We here computationally design stimulation signals for electrica
69  we examined the evolutionary history of the computationally designed (retro-)aldolase RA95.
70 ed length variants of the basic scaffold and computationally designed de novo loops projecting from t
71 yr-Asn-Tyr tetrad that emerged adjacent to a computationally designed hydrophobic pocket during direc
72 we create synthetic nucleocapsids, which are computationally designed icosahedral protein assemblies
73                           Here, by utilizing computationally designed mutations, we demonstrate that
74  with internal cysteines (rubredoxin), and a computationally designed three-helix bundle (alpha3D).
75 mploys a combination of antibodies and novel computationally designed, recombinant affinity proteins
76  has focused on trying to experimentally and computationally determine the set of transcription-facto
77 diaryl dihydrophenazines, identified through computationally directed discovery, as a class of strong
78          Here we report two anatomically and computationally distinct learning signals in lateral orb
79                             This strategy is computationally distinguished from associative learning
80                                      Here we computationally dock over 3 million molecules against th
81 is has led to the design of high-throughput, computationally driven annotation projects.
82 nt it as R- and Matlab-packages which enable computationally efficient analyses of large data sets.
83 ficient of dispersion, to provide robust and computationally efficient analysis of both gene expressi
84 lect an optimal patch size, we develop a new computationally efficient and data-driven cross-validati
85 ocus system in an F2 population and BAT is a computationally efficient and fast method for estimating
86 sional curves is fast, this equation gives a computationally efficient and intuitive method for solvi
87                                Here, using a computationally efficient approach, we extend this idea
88 nucleosomal sequence preferences to create a computationally efficient approximation of the full biop
89 h to RNA-seq analysis by: (i) implementing a computationally efficient bump-hunting approach to ident
90 gest that FIQT is more (i) accurate and (ii) computationally efficient by orders of magnitude.
91                                            A computationally efficient coarse-grained model of the er
92    While the method performs well, it is not computationally efficient due to the exponential increas
93 -step approach is not only powerful but also computationally efficient even when the number of subjec
94                                         This computationally efficient framework discards the correla
95       We developed a novel formulation and a computationally efficient greedy search algorithm called
96               Our software package biMM is a computationally efficient implementation of a bivariate
97 rmance with arbitrary fracture geometry in a computationally efficient manner.
98 handle slow- and fast-evolving tumors, and a computationally efficient method for finding gene sets t
99                                 We propose a computationally efficient method, ALBI (accurate LMM-bas
100          These results show that simplified, computationally efficient models are an attractive choic
101                This Article introduces a new computationally efficient noise-tolerant signal processi
102 C) sampling inference algorithm, and is more computationally efficient on tests of relatively low cov
103 science include the development of reliable, computationally efficient predictive exposure models; th
104                           Our method employs computationally efficient technique, thus it is able to
105  demonstrate that our ADMM algorithm is more computationally efficient than a coordinate descent algo
106  Laplace ApproXimation (MALAX), that is more computationally efficient than MACAU and allows to model
107 n model selection that is significantly more computationally efficient than Markov Chain Monte Carlo
108 mechanism of protein association and offer a computationally efficient tool for predicting its rate.
109 hat are minimal in size, and run in a highly computationally efficient way, with the single goal of e
110                                   PAC-MAN is computationally efficient, allowing the management of ve
111                                     They are computationally efficient, applicable to a broad range o
112                                    MARV is a computationally efficient, flexible and user-friendly so
113                          The LDM method is a computationally efficient, iterative workflow consisting
114                     TASC is programmed to be computationally efficient, taking advantage of multi-thr
115  scalable to extremely large datasets and is computationally efficient.
116 the classical Fisher combination test and is computationally efficient.
117 hat dMAGA-FCMD is capable of effectively and computationally efficiently training large-scale FCMs an
118                 This has been facilitated by computationally encoding the thermodynamics of DNA hybri
119 erform chlorination versus hydroxylation was computationally evaluated for different substrates that
120              Here we have experimentally and computationally evaluated the functional contributions o
121           The model additionally was used to computationally evolve highly active 5' UTRs.
122 ne and per-sample mutational frequencies are computationally expensive and have limited precision.
123 nal approaches using sparse optimization are computationally expensive and have no selection criteria
124 n generic assembly, which is error-prone and computationally expensive for complex data.
125                   Additionally, MACAU uses a computationally expensive Markov Chain Monte Carlo (MCMC
126 ilable or to numerical solvers based on more computationally expensive methods.
127 d buffer concentrations without resorting to computationally expensive numerical solution of reaction
128 the maximum likelihood model parameters in a computationally expensive process with downhill optimize
129 ng the network, avoiding the need to perform computationally expensive regression methods with specif
130 cluding CVTree, $d_2^*$ and $d_2^S$ are more computationally expensive than measures based solely on
131                     However, it is currently computationally expensive to perform hierarchical cluste
132 oxies for true atomistic dynamics, which are computationally expensive to perform routinely.
133  materials screening efforts are hindered by computationally expensive transition state barrier calcu
134    However, such Monte Carlo simulations are computationally expensive, and are therefore not suitabl
135 e transcripts is technically challenging and computationally expensive, focusing on single splicing e
136 tion profile, and whilst powerful, these are computationally expensive, limiting practicality.
137                                   It is also computationally expensive, limiting the ability to condu
138   In addition, the FPB is substantially less computationally expensive, requires less information on
139                               ML schemes are computationally expensive, requiring an eigenvalue decom
140 ch as those based on pupil functions, can be computationally expensive.
141  genotype calls, the prephasing task becomes computationally expensive.
142 eritability scores, while NB-fit is the most computationally expensive.
143 ing penalty terms in the scoring function is computationally expensive.
144 e in computer vision applications, which are computationally expensive.
145 hidden Markov models, which are accurate but computationally expensive.
146 all possible causal configurations, which is computationally expensive.
147  the process of extracting these features is computationally expensive.
148 ical footing now exists to generate and test computationally explicit predictions of behavioral and n
149 in that it will drive new research by making computationally explicit predictions of SC neural popula
150 rformance are now available, which provide a computationally explicit solution for the recognition of
151 er reactivity of (2,7)pyrenophanes have been computationally explored using state-of-the-art Density
152 reactions involving 1,2-azaborines have been computationally explored within the density functional t
153  in full field cryo soft X-ray tomography to computationally extend the depth of field (DOF) of a Fre
154 ystack Heuristic, an algorithm customized to computationally extract disease-associated motifs from n
155 ded by terahertz time-domain spectroscopy to computationally extract occluding content from layers wh
156 tion-based methods are more powerful, though computationally far more intensive.
157                  In conclusion, we provide a computationally fast algorithm to implement a statistica
158 pproximate or summary coalescent methods are computationally fast and are applicable to genomic datas
159                           Here, we propose a computationally fast score-test-based method that estima
160                              The approach is computationally fast, enabling the application to whole-
161  be approximated with good performance using computationally faster heuristic clustering approaches (
162 aplotypes and fitting the regression is made computationally feasible by the low diversity setting.
163 huge-scale testing problems arbitrarily into computationally feasible sets or chunks Results from the
164 t processing of even much larger datasets is computationally feasible.
165 response associations, hypothesized to arise computationally from 'model-free' learning.
166 wn due to low binding affinity, therefore we computationally generated an ensemble of apoCaM-Ng13-49
167                               We compare the computationally generated structural ensembles of the ID
168 ructures classified into 129 families; (iii) computationally generated three-dimensional models of TM
169                                              Computationally guided mutagenesis and kinetic analyses
170 formation processing, there exist classes of computationally hard problems wherein this paradigm is f
171 background activity and without resorting to computationally heavy off-line processing.
172 he possible chain structures were determined computationally, highlighting a delicate balance between
173                               We investigate computationally how structural constraints on proteins i
174             Here we study experimentally and computationally how vein patterns affect growth.
175                        From this dataset, we computationally identified activity patterns associated
176 8 isolate reference DNA viruses with 264 413 computationally identified viral contigs from >6000 ecol
177                                      Here we computationally identify second-sphere amino acid residu
178                                              Computationally identifying circRNAs from total RNA-seq
179                                           We computationally illustrate that our approach achieves er
180    Tissue dominant effects are first removed computationally in order to define these subtypes, which
181 tify the signaling pathway, was accomplished computationally in reference to the known "closed" apo-P
182 cal assessment of domain predictions and are computationally inefficient for high-resolution Hi-C dat
183 e to their statistical nature and can become computationally inefficient for large systems; analytica
184                               We introduce a computationally inexpensive protocol for the systematic
185 ical functions such as a Gaussian, which are computationally inexpensive, may not accurately capture
186          Since the calculations of ES(r) are computationally inexpensive, the descriptor offers fast
187 e combined 1,398 human and mouse datasets to computationally infer ISG modules and their regulators,
188 ES, an approach that improves the ability to computationally infer TRN from time series expression da
189                   5mC and 5hmC levels can be computationally inferred at single base resolution using
190  are not directly measured, but they must be computationally inferred from these sequencing data.
191                                          Our computationally inferred immune infiltrates associate mu
192 y previously described methods but favored a computationally informed method that enabled selection o
193           Normalising affective biases using computationally inspired interventions may represent a n
194 e has remained limited because the method is computationally intensive and conceptually challenging.
195 s to single-cell transcriptomic analysis are computationally intensive and require assay-specific mod
196                                    These are computationally intensive and time consuming steps, whic
197 ies selecting groups of similar isolates for computationally intensive methods of phylogenetic infere
198                       We determined that the computationally intensive PBcR-BLASR assembly pipeline y
199                                  Complex and computationally intensive pipelines are required to asse
200 static loci is a statistically difficult and computationally intensive problem.
201 en hindered by inaccurate approximations and computationally intensive simulation.
202 ubmission and access to private datasets and computationally intensive workspace-based analysis requi
203 tion and maintenance of distance matrices is computationally intensive, and rapid methods of doing so
204                             This approach is computationally intensive, requiring integration of disp
205 o historical air-temperature variability and computationally interpolated to provide high-resolution
206        Evaluating the performance of PBT was computationally intractable and previous attempts succee
207 ansition to be probed directly and revealing computationally intractable features that rely on the lo
208 mation towards a given target is therefore a computationally intractable problem.
209 ing every possible combination of choices is computationally intractable, particularly for longer mul
210 s ME problem is NP-complete, and so probably computationally intractable.
211  interaction structure between genes, or are computationally intractable.
212                                      We also computationally investigate the variants of this compoun
213                                      We have computationally investigated the introduction of copper
214 specificity, assigning receptors to pathways computationally is possible.
215                                              Computationally it was shown that desynchronizing delaye
216 any cultivated representative, most could be computationally linked to dominant, ecologically relevan
217     This strategy provides a non-optimal but computationally manageable solution to the task of vocal
218 the structural biology community that can be computationally mined to complement ongoing research tow
219 two key PUSs acting on mammalian mRNA and to computationally model the sequence and structural elemen
220 ren and adolescents with and without ASD, we computationally modeled individuals' visual orientation
221                            In this study, we computationally modeled the effects of missense cancer m
222        In this work, we resolve the issue by computationally modeling a plausible atomistic 3D struct
223 s distinguishing between these mechanisms by computationally modeling goal-directed and habitual beha
224 hat have been regarded as "higher order" are computationally more complex than "simple" associative l
225  second annulation reaction was rationalized computationally on steric grounds.
226 luenza was derived from a methodology termed computationally optimized broadly reactive antigen (COBR
227 fic influenza vaccines, a methodology called computationally optimized broadly reactive antigens (COB
228 described the design and characterization of computationally optimized broadly reactive hemagglutinin
229 lic guanidinocalixarenes whose structure was computationally optimized to dock into MD-2 and CD14 bin
230 procedure on patterns generated in silico by computationally pooling Saccharomyces cerevisiae microsa
231   The methodology is conceptually simple and computationally practical, and provides a broadly effect
232 essed and ethanol-adapted E. coli cells with computationally predicated ethanol-binding proteins and
233  of eCLIP experiments, it is now possible to computationally predict RBP binding sites across the who
234                                           We computationally predict that cross-family PDGF binding c
235 mportance of multiple scattering effects and computationally predict the impact of local particles' e
236                               The ability to computationally predict whether a compound treats a dise
237 tally probed ( approximately 23 million) and computationally predicted (approximately 117 million) RB
238 us PMMs and these mutations are enriched for computationally predicted impacts on splicing.
239                                              Computationally predicted products of HMX hydrolysis suc
240  encoded on 22q11.2, increased levels of the computationally predicted putative miR-185 targets UDP-N
241                     More than 86.6% of these computationally predicted regulatory regions were partia
242 t and leverage experimentally determined and computationally predicted structures are urgently needed
243                Engineered disulfide bridges, computationally predicted to interfere with IFNAR1 dynam
244 y radical (likely catalyzed by Cu), which is computationally predicted to spontaneously trigger C-C b
245 a user-friendly database, ScaPD, to describe computationally predicted, experimentally validated scaf
246 y validated, and their putative targets were computationally predicted.
247                We detail the methods used to computationally process and interpret sequence data to i
248 drochalcone with a POPC membrane was modeled computationally, providing evidence that it is not a pan
249 by detecting features for all compounds in a computationally reasonable time.
250 chromosomal contact data that can be used to computationally reconstruct 3D structures of the genome.
251      Here, we used a marker-free approach to computationally reconstruct the blood lineage tree in ze
252                                              Computationally reconstructed SC-macrophage molecular ne
253 s petersii allow for the sensory input to be computationally reconstructed, enabling us to link the i
254 forward connectivity are capable of creating computationally relevant mixed selectivity, such a model
255 ate (1) the extent to which the PFC exhibits computationally relevant properties, such as mixed selec
256 r epistasis on evolutionary trajectories, we computationally removed high-order epistasis from experi
257 red into smaller pieces, sequenced, and then computationally reordered and analyzed, enables fast and
258               Our study addresses how we can computationally represent drug-signaling pathways to und
259                     We model these responses computationally, revealing that mismatch and omission re
260            ISAMBARD is open-source, modular, computationally scalable and intuitive to use.
261                                           We computationally screened vertebrate genomes for conserve
262 ected prostate per patient was digitized and computationally segmented into nuclei, lumen, and combin
263 ssion of integral membrane proteins based on computationally simulated membrane integration efficienc
264 l only with undirected networks, they can be computationally slow and are based on normality assumpti
265 r(IV,IV) and Ir(IV,V) redox states have been computationally studied both with DFT and multiconfigura
266 c acid, 4-methylcatechol, and catechol) were computationally studied using density functional theory,
267                                           We computationally study how an icosahedral shell assembles
268 luding those that are challenging to predict computationally, such as intermolecular and long-range i
269                                              Computationally, such asymmetric learning predicts risk
270 nd the fact that these groups of neurons are computationally sufficient to generate decisions.
271 we have demonstrated both experimentally and computationally that a proper selection of the substitut
272       Here, we demonstrate theoretically and computationally that long-lasting sparks emerge as a col
273 hese N-unsubstituted compounds, it was found computationally that the lowest-energy stereodynamic pro
274       Here we investigate experimentally and computationally the translational dynamics of vicinal wa
275                                              Computationally, the prediction of binding selectivity i
276                                              Computationally, these two systems of behavioural contro
277                                              Computationally this has been modeled by allowing partic
278 d whether the drug effects can be formalized computationally to allow single subject predictions.
279 d green fluorescent protein variant designed computationally to have reduced frustration is indeed le
280 corroborate this strategy experimentally and computationally to the microwave absorption of manganese
281 es, shown previously in model membranes, and computationally, to affect bilayer thickness and lipid p
282 g the public health effects of emissions are computationally too expensive or do not fully address co
283 e than the one that we are proposing here or computationally too intensive, thereby limiting their ca
284                               By providing a computationally tractable and numerically consistent fra
285                                In our novel, computationally tractable approach to RNA-ligand kinetic
286 y level results data, LD score regression is computationally tractable even for very large sample siz
287 tion that does not require prephasing and is computationally tractable for whole-genome imputation.
288 ath-birth (DB) updating, we derive a simple, computationally tractable formula for weak selection to
289 d MRI signals are jointly analyzed through a computationally tractable formulation of partial least s
290                          The availability of computationally tractable metadata is especially importa
291                             Our technique is computationally tractable, generally outperforms other m
292                Bonferroni correction, though computationally trivial, is overly conservative and fail
293  from high-resolution Hi-C datasets is often computationally unfeasible using existing methods.
294 s complexed to actinide cations are explored computationally using density functional and coupled clu
295  their homolytic fragmentations were studied computationally using hybrid density functional theory (
296 loped system-scale patterns are investigated computationally using numerical continuation methods.
297 ed-linker ZIF structures that were generated computationally using the short-range order (SRO) parame
298                         Here we describe and computationally validate a framework that combines the c
299 d to extract only partial information or are computationally very demanding.
300                                              Computationally, we develop an algorithm using the alter

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