118 research outputs found
Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery
No full textIn both academia and the pharmaceutical industry, large-scale assays for drug discovery are expensive and often impractical, particularly for the increasingly important physiologically relevant model systems that require primary cells, organoids, whole organisms, or expensive or rare reagents. We hypothesized that data from a single high-throughput imaging assay can be repurposed to predict the biological activity of compounds in other assays, even those targeting alternate pathways or biological processes. Indeed, quantitative information extracted from a three-channel microscopy-based screen for glucocorticoid receptor translocation was able to predict assay-specific biological activity in two ongoing drug discovery projects. In these projects, repurposing increased hit rates by 50- to 250-fold over that of the initial project assays while increasing the chemical structure diversity of the hits. Our results suggest that data from high-content screens are a rich source of information that can be used to predict and replace customized biological assays.sponsorship: This work was supported by research grants IWT135122 ChemBioBridge, IWT130405 ExaScience Life Pharma, and IWT150865 Exaptation from the Flanders Innovation and Entrepreneurship agency. The NVIDIA Corporation generously donated a GPU. J.S., A.A., and Y.M. were additionally supported by Research Council, KU Leuven: CoE PFV/10/016 SymBioSys, PhD grants and imec strategic funding 2017, and A.E.C. by the NIH (NIH R35 GM122547). (Flanders Innovation and Entrepreneurship agency|IWT135122, Flanders Innovation and Entrepreneurship agency|IWT130405, Flanders Innovation and Entrepreneurship agency|IWT150865, Research Council, KU Leuven|CoE PFV/10/016 SymBioSys, NIH|NIH R35 GM122547)status: Publishe
PowerLAPIM: An application to conduct power analysis for linear and quadratic longitudinal actor-partner interdependence models in intensive longitudinal dyadic designs
No full textsponsorship: The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: The research presented in this article was supported by research grants from the Fund for Scientific Research-Flanders (FWO; Project No. G0C9821N) and from the Research Council of KU Leuven (C14/19/054; iBOF/21/090) awarded to E. Ceulemans. (Fund for Scientific Research-Flanders (FWO)|G0C9821N, Research Council of KU Leuven|C14/19/054, Research Council of KU Leuven|iBOF/21/090)status: Publishe
Clusterwise Parafac to identify heterogeneity in three-way data
No full textIn many research areas, the Parafac model is adopted to disclose the underlying structure of three-way three-mode data. In this model, a set of latent variables, called components, that captures the complex interaction between the elements of the three modes is sought. An important assumption of this model is that these components are the same for all elements of the three modes. In many cases, however, it makes sense to assume that the components may differ (i.e., qualitative differences in underlying component structure) across groups of elements of one of the modes. Therefore, in this paper, we present Clusterwise Parafac. In this new model, the elements of one of the three modes are assigned to a limited number of mutually exclusive clusters and, simultaneously, the data within each cluster are modeled with Parafac. As such, elements that belong to the same cluster are assumed to be governed by the same components, whereas elements that are assigned to different clusters have a different underlying component structure. To evaluate the performance of the new Clusterwise Parafac strategy, an extensive simulation study is conducted. Moreover, the strategy is applied to sensory profiling data regarding different cheeses.sponsorship: The first author is a post-doctoral researcher at the Fund of Scientific Research (FWO)-Flanders. The research reported in this article was partially supported by the Fund for Scientific Research (FWO)-Flanders (Belgium), Project G.0477.09 awarded to Eva Ceulemans, Marieke Timmerman, and Patrick Onghena, and by the Research Council of KU Leuven (GOA/2010/02). (Fund for Scientific Research (FWO)-Flanders (Belgium)|G.0477.09, Research Council of KU Leuven|GOA/2010/02)status: Publishe
The exponentially weighted moving average procedure for detecting changes in intensive longitudinal data in psychological research in real-time: A tutorial showcasing potential applications
No full textAffect, behavior, and severity of psychopathological symptoms do not remain static throughout the life of an individual, but rather they change over time. Since the rise of the smartphone, longitudinal data can be obtained at higher frequencies than ever before, providing new opportunities for investigating these person-specific changes in real-time. Since 2019, researchers have started using the exponentially weighted moving average (EWMA) procedure, as a statistically sound method to reach this goal. Real-time, person-specific change detection could allow (a) researchers to adapt assessment intensity and strategy when a change occurs to obtain the most useful data at the most useful time and (b) clinicians to provide care to patients during periods in which this is most needed. The current paper provides a tutorial on how to use the EWMA procedure in psychology, as well as demonstrates its added value in a range of potential applications.sponsorship: The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: The research presented in this article was supported by a research grant from the Research Council of KU Leuven (C14/19/054) awarded to E. Ceulemans. (Research Council of KU Leuven|C14/19/054)status: Publishe
Actual and perceived emotional similarity in couples’ daily lives.
No full textWe used two experience sampling studies to examine whether close romantic partners’ feelings of love and perceived partner responsiveness are better predicted by their actual emotional similarity or by their perceived emotional similarity. Study 1 revealed that the more partners were emotionally similar, the more they perceived their partner as responsive. This effect was mediated by perceived similarity, indicating that emotional similarity had to be detected in order to exert an effect. Further, when people overperceived their emotional similarities, they also reported more perceived partner responsiveness. Study 2 replicated these findings, by revealing similar effects for actual and perceived similarity on the love people reported to feel toward their partner. Implications for understanding the factors that predict feelings of love and responsiveness in close relationships are discussed.sponsorship: The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: Research Fund of the University of Leuven (Grants GOA/15/003) and by a research grant from the Fund for Scientific Research-Flanders (FWO, Project No. G.0582.14 awarded to Eva Ceulemans, Peter Kuppens, and Francis Tuerlinckx) (University of Leuven|GOA/15/003, Fund for Scientific Research-Flanders (FWO)|G.0582.14)status: Publishe
Feeling me, feeling you: The relation between emotion differentiation and empathic accuracy
No full text© 2016, © The Author(s) 2016. Does knowing your own emotions relate to knowing those of others? We argue that our ability to experience and label our own emotions in a differentiated and specific manner is related to the ability to accurately perceive the level of emotions in others. In an experience sampling study among romantic couples, we tested the hypothesis that individuals with higher levels of emotion differentiation are characterized by higher levels of empathic accuracy (i.e., judge others’ emotions more accurately). In line with expectations, results showed that individuals who differentiate highly between their negative emotions are more able to accurately infer how pleasant their partners are feeling across daily life. This finding establishes a link between perceptions of our own and others’ emotions and provides evidence that the skills we use to understand our own emotions are also relevant for understanding how others feel.sponsorship: The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This research was supported by the Research Fund of the University of Leuven (Grants GOA/15/003; OT/11/031), by the Interuniversity Attraction Poles program financed by the Belgian government (IAP/P7/06), and by research grants from the Fund for Scientific Research-Flanders (FWO) awarded to Eva Ceulemans and Peter Kuppens. (Research Fund of the University of Leuven|GOA/15/003, Research Fund of the University of Leuven|OT/11/031, Interuniversity Attraction Poles program - Belgian government|IAP/P7/06, Fund for Scientific Research-Flanders (FWO))status: Publishe
Tailored SID & Profile Allocation for Amsterdam Airport Schiphol
No full textCurrently, only one Standard Instrument Departure (SID) track and one flight procedure is used per runway departure fix combination. In contrast to tailored arrivals, the potential benefit of tailored departures has been left relatively undiscovered. The research objective is to quantify the potential benefit of tailored SID-s and profile allocation for Amsterdam Airport Schiphol by developing a model that is capable of simulating departure trajectories per runway departure fix and optimize the overall allocation of departing aircraft for noise and fuel consumption. The proposed methodology includes a two-step modelling framework. The two models involve the design of novel tailored departure trajectories using a multi objective genetic algorithm and the computation of optimal flight allocation by means of Mixed Integer Linear Programming (MILP). A case study is presented and serves as proof of concept.Aerospace EngineeringAerospace Transport & Operation
A Tighter RVxF Motif Makes a Finer Sift
No full textMost partners of protein phosphatase 1 rely on an instance of the so-called RVxF motif for interaction with the enzyme. In this issue of Chemistry & Biology, a stringent definition of the motif targeting high-affinity instances enabled Meiselbach and colleagues to recognize novel binding partners with high specificity [1]
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