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1  domain, and provides a further proof of the computational abilities of the scheme.
2                        Most importantly, the computational ability to switch on and off hydrogen bond
3 ork approaches, which have been forwarded as computational accounts of the ventral stream, are consis
4 drug-target affinity data, yielding superior computational accuracy required to improve drug design.
5             The convergence of empirical and computational advances opens new frontiers of scientific
6                                          The computational algorithms developed to identify this type
7                                     Existing computational algorithms lack statistical assessment of
8 to develop efficient statistical methods and computational algorithms to construct or merge a complet
9                                              Computational analyses indicate that astrocyte-localized
10 sis (scTDA), an algorithm for topology-based computational analyses to study temporal, unbiased trans
11 alysis, a workflow that enables reproducible computational analyses.
12                                              Computational analysis confirms these materials undergo
13  spectroscopy (RI-NMR), kinetic studies, and computational analysis has enabled the generation, obser
14                                              Computational analysis of gene expression to determine b
15                                              Computational analysis of some of the cores synthesized
16                                              Computational analysis of the results reveals major diff
17                                              Computational analysis of these probes revealed a conver
18                                          Our computational analysis showed that the output dynamics a
19                    We undertook an extensive computational analysis using a unique and comprehensive
20 tron transfer properties is investigated via computational analysis, time-correlated single photon co
21                                        Using computational analysis, we describe the structural and p
22 of multiplexing PCR, targeted sequencing and computational analysis.
23 tamine (MA), the current study sought to use computational and biochemical analyses to characterize d
24 rties of Granger-Geweke (GG) causality, both computational and conceptual.
25                                  We combined computational and experimental approaches to compare ene
26        With the advances in instrumentation, computational and mathematical techniques, this technolo
27 methodologies are still not available to the computational and medicinal chemistry communities.
28 gen genetics and human ecology, coupled with computational and methodological innovations, is amplify
29                        Based on our combined computational and mutagenesis studies of MhsT and LeuT,
30 rushes, as well as an ever increasing set of computational and simulation tools that allow understand
31                               We here employ computational and structure-guided design to develop imp
32   We review recent advances in the fields of computational and systems biology and highlight opportun
33                             Electrochemical, computational, and spectroscopic studies substantiated t
34 te the propagation of contrast material into computational anthropomorphic phantoms for estimation of
35 e steps of data manipulation, we developed a computational approach (bootstrapping) to propagate unce
36 We demonstrate the combined experimental and computational approach for de novo sequencing using whol
37                  We present a novel two-step computational approach for identification of master regu
38                               An alternative computational approach is to match the detected features
39                                          The computational approach models variations in single myosi
40                                          The computational approach presented here could be a first s
41      We concluded that BNNPT is an efficient computational approach to test nonlinear correlation in
42                                      Using a computational approach, we identified seven phytopathoge
43 elium through an integrated experimental and computational approach.
44  will develop and benchmark experimental and computational approaches for measuring genome conformati
45 e methods for scaffold hopping, a variety of computational approaches have been successfully applied.
46 is, data intersection, pathway analysis, and computational approaches including linear discriminant a
47 sequencing in combination with systems-based computational approaches to investigate the complexity o
48     To address this, we have developed novel computational approaches to model the association betwee
49 p that reflect memory processing) and review computational approaches to the analysis of sleep-associ
50  multiplying and spreading, a fault-tolerant computational architecture is required.
51                                          The computational biology approach and the BP database devel
52                           Bioinformatics and computational biology play a critical role in bioscience
53                                           In computational biology, modeling is a fundamental tool fo
54  with anatomical data to create a multilayer computational biomechanical model of the organism and ac
55  approximate string matching problem, is the computational bottleneck because: (i) it is implemented
56 , decreased classification accuracy and high-computational burden.
57  to explain the improvements in MAOS and how computational calculations can be used as a predictive t
58                                          The computational challenge can be dealt with, in part, by e
59 tainties that impose several statistical and computational challenges to the reliable detection of va
60  this technology has also raised several new computational challenges.
61 sing electrophysiological, morphological and computational characterization of these mutants, we prop
62 ons of their magnetic, crystallographic, and computational characterization to literature compounds g
63 is review provides an overview of the use of Computational Chemistry in MAOS to provide a theoretical
64                                              Computational chemistry research into reaction intermedi
65 assay)) or alternatively on the basis of the computational cluster assay (this does not require any r
66  on a change-point based method with optimal computational complexity and desirable accuracy.
67  an evolutionary workaround for reducing the computational complexity of song learning in zebra finch
68  the identification of evoked spikes, with a computational complexity that is compatible with real-ti
69                    To combat this problem of computational complexity, a plethora of heuristic algori
70 y this type of variation are usually of high computational complexity.
71 thm has been developed to greatly reduce the computational cost and facilitate model selection and in
72 ), one effective strategy used to reduce the computational cost is shot-encoding, which encodes all s
73  from neurons as close as 20 mum apart, at a computational cost three orders of magnitude less than t
74 ted essentially completely with little added computational cost.
75                 In addition to the decreased computational demand compared to previous bacterial geno
76 nsus mutations" approach, and the second was computational design based on DeltaDeltaG calculations i
77       We describe a general strategy for the computational design of homo-oligomeric protein assembli
78 , there is no general method for the de novo computational design of multicross-linked proteins with
79  (or an earlier step in the pathway) for the computational design to product release for the evolved
80                                      All the computational detection and prediction experiments were
81                                            A computational DFT-B3LYP structural analysis of a poly ph
82 genesis, molecular dynamics simulations, and computational docking to analyze GRK5 interaction with t
83 te that DrugPredict represents an innovative computational drug- discovery strategy to uncover drugs
84 ovel drug discovery strategy that combines a computational drug-repositioning system (DrugPredict) wi
85                        When mathematical and computational dynamic models reach infinity in finite ti
86 cally, and more broadly, underlie the neural computational dysfunction prototypical of schizophrenia.
87 tperform several established methods in both computational efficiency and prediction accuracy.
88                                Regarding the computational efficiency of LLR, a novel expectation-max
89 tures across all scales, DiScrn achieved 66% computational efficiency while also achieving comparable
90                                   To improve computational efficiency, we describe an new importance
91 er-fragment) likelihood, while retaining the computational efficiently of the compatibility-based fac
92                  The present work is a novel computational effort to provide insight on the mechanism
93           Despite extensive experimental and computational efforts to understand the nature of the hi
94  improved agreement between experimental and computational enthalpies of O2 binding.
95                                      Placing computational evidence in the context of experimental da
96                  We provide experimental and computational evidence that conformational flexibility c
97                                       With a computational experiment that simulates an intervention
98                                              Computational experiments are scriptable and should be e
99                                 We performed computational fluid dynamics (CFD) simulations to determ
100 d modeling (ABM) and hemodynamic effects via computational fluid dynamics (CFD).
101                                        Using computational fMRI, we show parallel encoding of effort
102 nation of protein structures using a smaller computational footprint, we saw the need for a fast and
103  proposes a first step toward an alternative computational framework in which neural activity in each
104 e results also demonstrate that our proposed computational framework provides a useful alternative fo
105                                 We propose a computational framework to accurately predict the Global
106                Here we describe an automated computational framework to annotate ions for possible ch
107 sed modelling approaches within a consistent computational framework, Chaste.
108      The results represent the most complete computational functional analysis of proteins comprising
109                                  The move of computational genomics workflows to Cloud Computing plat
110 rimental discovery of two structure types by computational identification of the region of a complex
111          This is the first study to identify computational impairments during decision making in gene
112                    Improving the accuracy of computational inference methods can significantly reduce
113 mparable to RNA sequencing, and suitable for computational inference of the expression levels of 81%
114                                              Computational insights have given reasons for their stab
115                        (1)H NMR analysis and computational investigation of the alpha-epimer revealed
116 ) simulations and among the most widely used computational kernels in science.
117 We provide an emergentist perspective on the computational mechanism underlying numerosity perception
118             Here, we characterize neural and computational mechanisms underlying this form of social
119               In this study, we integrated a computational method and a yeast surface display techniq
120                 We present miRvial, a robust computational method and companion software package that
121                    METHODS AND FFRangio is a computational method based on rapid flow analysis for th
122 substantial efforts, no generally applicable computational method has been described.
123        In this study, we used an image-based computational method on pan-cytokeratin IHC stainings to
124              Here, we have developed a novel computational method that allows us to impute drug respo
125  Here, we present an integrated experimental-computational method that enables quantitative compariso
126     In this article, we introduce SiNVICT, a computational method that increases the sensitivity and
127                                              Computational methods are widely used to study IDPs, how
128  be driven by mathematical, statistical, and computational methods being absorbed into mainstream bio
129 macology approach combining experimental and computational methods can guide antibiotic selection for
130                                Although many computational methods exist to predict plant protein sub
131  interest in combination of experimental and computational methods for enantiosensing of chiral molec
132 allenges has been to develop statistical and computational methods for epidemiological forecasting, b
133                                     Existing computational methods for particle picking often use low
134                                 As a result, computational methods for predictioning new drug-target
135                                 While modern computational methods have been developed to describe th
136                                              Computational methods have been developed to guide synth
137                                              Computational methods have been developed to predict the
138                                         Many computational methods have been proposed for the predict
139         Hierarchical ensembles are efficient computational methods that guarantee biologically meanin
140                       Developing integrative computational methods to analyze these diverse types of
141 efore, there is a great demand in developing computational methods to identify chromatin accessibilit
142                                 Here, we use computational methods to investigate small numbers of bo
143 zyme-structural and genomic information with computational methods to rapidly identify enzymes and mi
144 otein structural data enables development of computational methods to systematically derive rules gov
145         Compared with three state-of-the-art computational methods, CCmiR had a higher recall and a h
146     In light of some limitations of existing computational methods, we developed a global network ran
147          Our model is supported by different computational methods-LD simulations, Monte Carlo simula
148 Here, we used a unique approach connecting a computational model closely with experimental data.
149                        We demonstrate that a computational model for beta oscillations in Parkinson's
150                                            A computational model independently predicts that context-
151                                         In a computational model of a local RT network featuring slow
152                           Here, we provide a computational model of binocular rivalry.
153  association between RPEs and happiness in a computational model of momentary mood dynamics (z = 4.55
154 em into our previously developed dimer-scale computational model of MT dynamics.
155                               We developed a computational model of spinal circuits consisting of fou
156                            Results show that computational model of texture homogeneity along the per
157 e, we constructed and validated a predictive computational model of the cardiac mechano-signaling net
158                           We present a novel computational model of the healthy basal ganglia, constr
159                                          Our computational model reproduced the regular pacemaker-lik
160                                   Finally, a computational model reproduces behavioural results, by i
161 ants on reinforcement learning tasks using a computational model that was adapted to test if predicti
162                          We have developed a computational model to address these questions.
163 flammation to altered lung mechanics using a computational model.
164 reduced drug resistance both in vitro and in computational model.
165 nd each is very close to their corresponding computational model.
166 he analysis of spatial biases), and Bayesian computational modeling (in the analysis of individual su
167 oaches, from anatomy to electrophysiology to computational modeling and behavior.
168                                              Computational modeling and cellular mutational analysis
169      This review explores recent advances in computational modeling and empirical research aimed at a
170              Through an iterative process of computational modeling and experimental tests, we found
171                    Furthermore, by combining computational modeling and the BiLC reporter assay, we i
172                                              Computational modeling can aid in identifying neural gen
173                       Behavioral results and computational modeling confirmed that learning was best
174                                              Computational modeling evaluates drug vascular extravasa
175                                              Computational modeling indicated that Group II motoneuro
176                                     Finally, computational modeling of 25 missense mutations of CYP11
177 transcranial magnetic stimulation (TMS) with computational modeling of behavioral responses.
178 data set provides a rich resource for future computational modeling of E. coli gene regulation, trans
179                                              Computational modeling performed with the all-atom MD si
180 ogenetic control of Rho-kinase combined with computational modeling reveals that active Rho-kinase di
181                                              Computational modeling studies revealed that HN is prefe
182                To fill this gap, we combined computational modeling with functional neuroimaging.
183               A combination of spectroscopy, computational modeling, and crystallography has identifi
184 cal modeling and verifying our findings with computational modeling, we infer a causal relationship,
185                                              Computational modelling of the heart tube during develop
186                                   We combine computational models and in vivo recordings to study the
187                                              Computational models are increasingly important in confr
188 ubstantial body of empirical work and recent computational models have characterized the specific rol
189                                Biomechanical computational models have potential prognostic utility i
190                                              Computational models of betaS fibril structures indicate
191  are going to be a milestone for instructing computational models of brain function.
192   This result has important consequences for computational models of reinforcement learning.
193                                          The computational models predicted large strain most promine
194                                          Our computational models reproduce these results and highlig
195               We used these pCREs to develop computational models that can better predict salt up-reg
196       Herein, we review the state-of-the-art computational models that describe liver dynamics from m
197 on database thus lowers the bar on exploring computational models, helps users create valid simulatio
198 e abilities in compulsive participants using computational models, where these enable a segregation b
199 ed interaction geometries to improve current computational models.
200                BIO PIs considered a range of computational needs important to their work, including h
201 range of RNA-seq applications and their high-computational needs require the development of pipelines
202  when sampling from these models, as done in computational neuroscience to analyze statistical proper
203  microcircuit motif to perform a fundamental computational operation on neural activity patterns.
204 t of subsampling bootstrap on prediction and computational parameters.
205 trating high precision, and finally assessed computational performances compared to other tools.
206 w generation of voxel-based, realistic human computational phantoms developed by the RADAR committee
207               Further, we build an automated computational pipeline to reconstruct phylogenies and an
208 reference-based ribosome assembly (RAMBL), a computational pipeline, which integrates taxonomic tree
209         We automated these tasks via a novel computational pipeline.
210 proved quantitative tools, we have developed computational pipelines to identify extracellular traps
211                               We tested this computational platform by detecting variations in mechan
212 ces, there exists a need for a comprehensive computational platform integrating all these sequences w
213                                              Computational prediction of mutation impacts on protein
214 se a novel method, piRNAdetect, for reliable computational prediction of piRNAs in genome sequences.
215 mployed an integrated approach that combines computational predictions with new experimental studies
216                                              Computational predictions, which were biochemically vali
217 uman neuroimaging observations converge with computational predictions.
218 confirmed in primary visual cortex (V1), its computational principles apply with equal validity to an
219 cts evolutionarily driven differences in the computational principles governing specialized circuits
220                              To address this computational problem, it is important to optimize the v
221 with multiple branches remains a challenging computational problem.
222 es significant speed-up for certain types of computational problems.
223  exchanged, the quantities to be traded, the computational procedures, and even some of the performan
224 he used analysis tools to reduce the overall computational processing time, and concomitantly reduce
225                           Here, we present a computational protocol for accurate detection and groupi
226  relevant crystal structures, validating the computational protocol.
227                                              Computational psychiatry aims to apply mathematical and
228 y be used to guide differential diagnosis in computational psychiatry and computational psychosomatic
229 al diagnosis in computational psychiatry and computational psychosomatics.
230 o decrease the Degrees-of-Freedom (DoFs) and computational requirements.
231 use such networks usually engage substantial computational resources, the handling of which requires
232 e workflow and optimizing usage of available computational resources.
233                Our combined experimental and computational results demonstrate that the microporosity
234                                          Our computational results indicate the presence of through-s
235                   Both experimental data and computational results suggest that the ability to tune t
236                                 We validated computational results through an extension of Flux Balan
237 ibitory interactions can implement different computational rules such as vector averaging, winner-tak
238 y comparing the output of a well-established computational saliency model with the activation of neur
239 n inaccessible to most users due to the high computational scaling of conventional algorithms and acc
240                                         This computational sensing technique can find numerous uses i
241 d-prediction errors that function as the key computational signatures of two distinct classes of RL m
242                                              Computational simulation of the experimental EPR spectra
243                                 By combining computational simulation, two-photon imaging, optogeneti
244                                          Our computational simulations suggest that dendrodendritic s
245                            Here, we combined computational simulations with analysis of in vivo two-p
246                                        Using computational simulations, we identify specific mechanis
247  perspective on emerging network biology and computational solutions to exploit these phenomena for c
248 ical alignment results as NCBI-BLAST and its computational speed is much faster than that of NCBI-BLA
249 -sequence databases grows exponentially, the computational speed of alignment softwares must be impro
250                                         Both computational strategies agree on the nature of the rate
251                                      Using a computational strategy on a library of 46 656 heparan su
252                                              Computational studies are then surveyed in terms of the
253                                              Computational studies comparing ClBcat with BCl3 as an a
254                        Both experimental and computational studies find that 2D CTGU-5 which has coor
255                                    Guided by computational studies for the final structure assignment
256                                              Computational studies identify the cause as interligand
257                     Recent spectroscopic and computational studies increasingly support iron as the s
258                                              Computational studies indicate that increased stabilizat
259                                     Although computational studies indicate that these exceptionally
260 m the basis of disease- and patient-specific computational studies of hereditary diseases affecting t
261                      Structural analysis and computational studies of MalA' in complex with three sub
262 iew presents an overview of state-of-the-art computational studies on subnanosecond events in rhodops
263          This paper reports experimental and computational studies on the mechanism of a rhodium-cata
264 s on the photophysical, electrochemical, and computational studies was investigated.
265 eriments and density functional theory (DFT) computational studies were performed to determine the bi
266 ural information from X-ray crystallography, computational studies, and NMR solution conformational a
267                           We report herein a computational study based on hybrid QM/MM umbrella sampl
268                                            A computational study by molecular docking was made to com
269                                         This computational study extends work reported previously in
270                         The experimental and computational study here of a beta-ketoacid decarboxylat
271           Here, we report an ab-initio based computational study of thermal transport in nanocrystall
272                         We present the first computational study that explicitly accounts for detaile
273                    Our combined experimental-computational study unravels the folding-functional land
274                  A combined experimental and computational study, using mechanically controlled break
275 tems supporting human cognition and emerging computational systems capable of emulating these capacit
276 rmation processing, for example, in advanced computational systems, smart actuators, and programmable
277 -power-consumption operation for specialized computational tasks.
278             We present a simple non-invasive computational technique that, when coupled with experime
279    These methods highlight the importance of computational techniques in fMRI analysis, especially ma
280 tallography, nuclear magnetic resonance, and computational techniques reveal the distribution of stat
281 e Ni(I)-CO species through spectroscopic and computational techniques reveals fundamentally similar f
282 al psychiatry aims to apply mathematical and computational techniques to help improve psychiatric car
283 d a combination of behavioral, molecular and computational techniques to test the role of the microbi
284                                We review the computational theory underlying this proposal and the em
285 ite the wide adoption of TI-seq, there is no computational tool currently available for analyzing TI-
286 ere identified and used to build a web-based computational tool for the genome-wide detection of AARS
287                     Here, we present iMet, a computational tool that facilitates structural annotatio
288 sent CRISPulator, a Monte Carlo method-based computational tool that simulates the impact of screen p
289                                            A computational toolkit (AARON: An automated reaction opti
290                  However, current downstream computational tools fail to reliably determine regulator
291 sively validate our framework using existing computational tools from the literature.
292 rall, our results highlight the potential of computational tools to elucidate causal mechanisms under
293 on-scale tumor genomics, creating a need for computational tools to separate contributions of multipl
294                         Deploying a range of computational tools, we obtain four estimates of their c
295 he way for hardware that directly mimics the computational units of Bayesian inference.
296 ave instead of the intensity as the state or computational variable.
297 his paper, we review recent experimental and computational work pertaining to the capture of several
298 ng object motion and self-motion, and recent computational work suggests that a linear decoder can ap
299           We present CloudNeo, a cloud-based computational workflow for identifying patient-specific
300 ent approaches and specific obstacles within computational workflows limit the translation of existin

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