Molecular Modelling Group, Centro de Biología Molecular Severo Ochoa, CBMSO (CSIC-UAM), Madrid, Spain ... Structural modeling of RAD21-SMC1A domain bound to the head domain of SMC1A/SMC3 complex. a Model for the RAD21-SMC1A domain ( ... e Model for variant Phe600del (green) compared to wild-type model (pink) after 100 ns of MD. Despite the local rearrangement in ... We evaluated consequences of 12 intragenic variants by protein modelling and molecular dynamic studies. Full clinical ...

Model Insight. As the molecular analysis models did not perform well, the model insight analysis was only conducted for the ... Evaluation of Models for the Molecular Analysis. For the c-KIT mutation stratification and MI predictions, the performance of ... As the model was not able to predict any genetic or molecular features, it cannot aid in treatment planning yet. ... Lastly, we evaluated the models robustness to segmentation and scanner variations.. Our model was not able to distinguish ...

Multi-model Simulations of Chicken Limb Morphogenesis *R. Chaturvedi, J. A. Izaguirre, C. Huang, T. Cickovski, P. Virtue, G. ... ProtoMcol: A Molecular Dynamics Research Framework for Algorithmic Development *T. Matthey, A. Ko, J. A. Izaguirre ... Recast of the Outputs of a Deterministic Model to Get a Better Estimate of Water Quality for Decision Makings *Ping Wang, Lewis ... Neural Network For Modeling Nonlinear Time Series: A New Approach *Chokri Slim, Abdelwahed Trabelsi ...

Lentiviral vectors have been successfully applied recently to promote axonal regeneration in CNS lesion models [56, 57]. ... Molecular Mechanisms of Spry2 Action. Spry1, Spry2, and Spry4 are upregulated transcriptionally by growth factor stimulation ... Sofroniew MV (2009) Molecular dissection of reactive astrogliosis and glial scar formation. Trends Neurosci 32:638-647 ... a mouse model for human stroke), most likely due to a more pronounced reactive astrocytic response in the peri-infarct area. ...

Molecular Engineering of Interleukin-2 for Enhanced Therapeutic Activity in Autoimmune Diseases Article 24 November 2023 ... Compared to the 3D binding model where the reactants are described in terms of concentration, the 2D model predicts less ... the choice of model leads to a notable difference in dose prediction. The dose predicted by the 2D model aligns better with the ... www.certara.com/poster/modeling-the-binding-kinetics-of-bispecific-antibodies-under-the-framework-of-a-minimal-human-pbpk-model ...

Bourdeau A, Dumont DJ, Letarte M (1999) A murine model of hereditary hemorrhagic telangiectasia. J Clin Invest 104(10):1343- ... overview of studies using genetic mouse models. Clin Exp Pharmacol Physiol 35(3):335-341. doi:10.1111/j.1440-1681.2007.04876.x ...

The aim of the study was to create and evaluate models for predicting high levels of daily pollen concentration of Corylus, ... Molecular Biosystems, 5, 1593-1605. doi:10.1039/b907946g.. Article CAS Google Scholar ... Łódź model (0.86). However, most of the Alnus models had a specificity lower than the Betula models. Only models for Lublin and ... Twenty-four final models were created. Table 3 shows a summary of model results for training sets. Most (13 of 16) Corylus and ...

A direct test of the diathesis-stress model for depression. Molecular Psychiatry, 23(7), 1590-1596. https://doi.org/10.1038/mp. ... Graffigna, G., Barello, S., & Bonanomi, A. (2017). The role of Patient Health Engagement Model (PHE-model) in affecting patient ... Fagerland, M. W., & Hosmer, D. W. (2017). How to test for goodness of fit in ordinal logistic regression models. The Stata ... The PSMC was internally consistent (α = 0.94). In multivariable models, after adjusting for all covariates, there was 51% ...

This study shows in mice models the implication of HIF1, the hypoxic transcription factor, WAT fibrogenesis in the context of ... Molecular regulators of hypoxia are better understood. The HIF1 proteins regulate the response to oxygen availability at the ... This study demonstrates in a mouse model the crucial role of collagen VI in WAT fibrosis and metabolism disorders. ... This hypothesis is related to experimental data mostly in animal models linking the appearance of adipose tissue hypoxia and ...

Table 1 Assumed molecular weight by planetary classification. Full size table. 2.4 Twinkle radiometric model and assessing ... redundancy in molecular detection is also necessary to allow for the retrieval of the vertical thermal structure and molecular ... Modelled observations of partial and full transits of WASP-127 b in channel 1 at R = 250 for 2021. Of the 18 available transits ... 2 shows modelled light curves for observations of all observable transits of WASP-127b during the year 2021; this includes 12 ...

Quantitative analysis of molecular surface based on improved marching tetrahedra algorithm. J Mol Graph Model, 2012, 38: 314- ... Ehresmann B, Martin B, Horn AHC, Clark T. Local molecular properties and their use in predicting reactivity. J Mol Model, 2003 ... The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines. J Am Chem Soc, 1986, 108 ... Marx D, Hutter J. Ab Initio Molecular Dynamics-Basic Theory and Advanced Methods. Cambridge: Cambridge University Press, 2009 ...

Drew P, Smith E, Thomas P (1998) Fat distribution and changes in the blood brain barrier in a rat model of cerebral arterial ... and the molecular mechanisms involved are not fully understood. We supplemented Sprague-Dawley female rats with 10% w/v ... Ho L, Qin W, Pompl PN et al (2004) Diet-induced insulin resistance promotes amyloidosis in a transgenic mouse model of ... Rescue of fructose-induced metabolic syndrome by antibiotics or faecal transplantation in a rat model of obesity. PLoS One 10(8 ...

Due to the discrete manner of molecular assembly in cell signalling and... ... fine-grained spatio-temporal modelling, and predictive simulation. ... fine-grained spatio-temporal modelling, and predictive simulation. Due to the discrete manner of molecular assembly in cell ... software for rule-based modeling of signal transduction based on the interactions of molecular domains. Bioinformatics 20, 3289 ...

We implemented this model using the lmFit() function in the limma R package [49], separately for each of the DNAm probes that ... For each model, we recorded the inflation factor, or lambda, calculated via the estlambda() function from the GenABEL R package ... For the SSC data, we implemented a generalized estimating equation (GEE) model using the gee() function in the gee R package [ ... For the SEED data, we used linear regression modeling of the M value (the ratio of methylated to total signal determined at ...

Journal of Molecular Modeling volume 24, Article number: 317 (2018) Cite this article ... J Mol Model 24, 317 (2018). https://doi.org/10.1007/s00894-018-3848-8 ...

European Journal of Nuclear Medicine and Molecular Imaging Aims and scope Submit manuscript ... Although the model used in this study does not represent all aspects of inflammation, it is an ideal model for the validation ... Pharmacokinetic modelling. Pharmacokinetic modelling using the [18F]FB-IL2 TACs at the inoculation site from 0 to 60 min after ... Pharmacokinetic modelling of N-(4-[18F]fluorobenzoyl)interleukin-2 binding to activated lymphocytes in an xenograft model of ...

Integrated model of de novo and inherited genetic variants yields greater power to identify risk genes. PLoS Genet. 2013;9(8): ... The molecular machinery of synaptic vesicle exocytosis. Cell Mol Life Sci. 2003;60(5):942-60. ... 1c). Next, we fitted a logit model to evaluate the added impact of prediction of disrupted PPI beyond MPC status. For an ... TADA assumes a dominant model and works well for haploinsufficient risk genes. It cannot detect other kinds of ASD risk genes: ...

Smith W, Forester TR (1996) DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. J Mol Graph 14:136- ... A new phenomenological model for annealing of fission tracks in apatite: laboratory data fitting and geological benchmarking ... Guedes, S., Moreira, P.A.F.P., Devanathan, R. et al. Improved zircon fission-track annealing model based on reevaluation of ... It is shown that the predictions given by this model are closer to field data on closure temperature and partial annealing zone ...

Recent advances in understanding the molecular events underlying hypohidrotic ectodermal dysplasia (HED) caused by mutations of ... Cui CY, Smith JA, Schlessinger D, Chan CC (2005) X-linked anhidrotic ectodermal dysplasia disruption yields a mouse model for ... The molecular basis of non-syndromic tooth agenesis, which is caused by mutations of other genes mainly WNT10A, (Arte et al. ... Yan M, Wang LC, Hymowitz SG, Schilbach S, Lee J, Goddard A, de Vos AM, Gao WQ, Dixit VM (2000) Two-amino acid molecular switch ...

Optical properties of synthetic carbon nanoparticles as model of cosmic dust. Spectrochimica Acta Part A: Molecular and ... Liu, Y., Zheng, C., Zhou, Y., Yu, Y., Yin, J., & Liu, Z. (2000). Ignition model of laser-heated single coal particles. Journal ... Stadnichenko, O., Snytnikov, V., Yang, J., & Matar, O. (2014). CFD modeling of a laser-induced ethane pyrolysis in a wall-less ... Xu, H., & Hu, J. (2017). Modeling of the material removal and heat affected zone formation in CFRP short pulsed laser ...

E. Molecular level mixing. Molecular level mixing is another route used to produce ceramic-graphene composites by utilizing a ... discussed the toughening mechanism in graphene-Si3N4 using a well-established model for reinforcement in ceramic composites.58 ... reported molecular level mixing to produce alumina-GO composite with different wt% of GO.77 In their study, GO was dispersed in ... In view of these limitations, extensive experimental or modeling data are necessary to understand how PDC route may affect the ...

Grattapaglia D (2000) Molecular breeding of Eucalyptus-state of the art, operational applications and technical challenges. In ... Valdes AM, Slatkin M, Freimer NB (1993) Allele frequencies at microsatellite loci: the stepwise mutation model revisited. ... Complex patterns of mating revealed in a Eucalyptus regnans seed orchard using allozyme markers and the neighbourhood model. ...

The molecular epidemiology of Candida albicans infections in animals has been rarely studied. In this study, multilocus ... algorithm with p-distance model in Mega 6 software. A bootstrap of 1000 replications was used for the construction [9, 19]. ... Liu J, Liu H, Yan J, Liu N, Zhang H, Zhao C, Liu Y. Molecular typing and genetic relatedness of 72 clinical Candida albicans ... Molecular epidemiology of invasive Candida albicans at a tertiary hospital in northern Taiwan from 2003 to 2011. Med Mycol. ...

In this review, we studied on the effects and molecular mechanisms of Rhizoma coptidis on NF-κB/MAPK/PI3K-Akt/AMPK/ERS and ... But the underlying molecular mechanisms of Rhizoma coptidis are still far from being fully elucidated. Alkaloids, especially ... In the insulin resistance models, Rhizoma coptidis acts on the TLR4/JNK/NF-κB inflammatory pathways and inhibits the activities ... Molecular mechanisms of Rhizoma coptidis regulating PI3K-Akt pathways. The full activations of the PI3K-Akt pathways are ...

Students t-test was used to compare the Random Forests models with true prediabetes status labels to models which assigned the ... Molecular Metabolism, 52(May), 101261. https://doi.org/10.1016/j.molmet.2021.101261. ... They also included fewer metabolites based on Lasso regression analysis in their model. In our model, glycerol was the most ... Linear model adjusted for age, intervention and intake of PUFAs). When the models were further adjusted for prepregnancy BMI, ...

Each species of animals, they stress, has its own model of the world (Umwelt) that is used to interpret external signals and ... According to the Oxford Dictionary of Biochemistry and Molecular Biology (Smith et al. 1997: 72) biosemiotics is "the study of ... They call this kind of semiosis "protosemiosis", following Prodi, who applied this notion to molecular processes in the cell. ... He writes: "The identity model allows a correlation between a scale of cognitive acuity, hominin behaviour through the ...

Molecular and structural factors regulating adipogenesis. Adipogenic cascade and molecular regulation. White and brown ... This model revealed that SAT adipocyte commitment and differentiation occurs early during embryogenesis, in E14-E18, in both ... An in vivo lineage-tracing approach using a Sox10-Cre/Rosa26-YFP model, where NC-derived cells are constitutively labelled, has ... Failure of molecular effectors of lipid metabolism could at least partly explain dysregulated lipid storage and mobilisation. ...

The prediction models were trained on influenza protein sequences isolated from both avian and human samples, which were ... From the prediction models constructed, all achieved high prediction performance, indicating clear distinctions in both avian ... In addition, features from all 11 proteins were used to construct a combined model to predict host tropism of influenza virus ... The results were highly accurate prediction models (ACC>96.57; AUC>0.980; MCC>0.916) capable of determining host ...

All H atoms bound with aromatic C atoms were placed geometrically and refined using a riding model with C-H = 0.93 Å and U iso( ... However, we can observe differences in the dihedral angles and molecular interactions in the crystal packing. With respective ... H) = 1.2 U eq(C). All H atoms bound with N atoms were placed geometrically and refined using a riding model with N-H = 0.86 Å ... The following programs were used to prepare molecular graphics: ORTEPII [27], PLUTO-78 [28], and Mercury [29]. ...

Ando I, Yamada S, Sanefuji T, Shoji A, Uematsu I (1987) Effect of pressure on the molecular motion of a poly(γ-benzyl L- ... 1. Model study with azidoalkyl carboxylic acid and cellobiosylamine derivative. Cellulose 12:209-219 ... Machii R, Sakatume M, Kubota R, Kobayashi S, Gejyo F, Shiba K (2005) Examination of the molecular diversity of alpha(1) ... Dulmage WJ (1957) The molecular and crystal structure of cellulose triacetate. J Polym Sci 26:277-288. doi:10.1002/Pol. ...