We consider the problem of minimizing the sum of submodular set functions assuming minimization oracles of each summand function. Most existing approaches reformulate the problem as the convex minimization of the sum ...
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While Structure from Motion (SfM) achieves great success in 3D reconstruction, it still meets challenges on large scale scenes. In this work, large scale SfM is deemed as a graph problem, and we tackle it in a divide-...
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Androgen receptor(AR) is a ligand-activated transcription factor that plays a pivotal role in the development and progression of many severe diseases such as prostate cancer, muscle atrophy, and osteoporosis. Binding ...
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Androgen receptor(AR) is a ligand-activated transcription factor that plays a pivotal role in the development and progression of many severe diseases such as prostate cancer, muscle atrophy, and osteoporosis. Binding of ligands to AR triggers the conformational changes in AR that may affect the recruitment of coactivators and downstream response of AR signaling ***, AR ligands have great potential to treat these diseases. In this study, we searched for novel AR ligands by performing a docking-based virtual screening(VS) on the basis of the crystal structure of the AR ligand binding domain(LBD) in complex with its agonist. A total of 58 structurally diverse compounds were selected and subjected to LBD affinity assay, with five of them(HBP1-3, HBP1-17, HBP1-38, HBP1-51, and HBP1-58) exhibiting strong binding to AR-LBD. The IC50 values of HBP1-51 and HBP1-58 are 3.96 m M and 4.92 m M, respectively, which are even lower than that of enzalutamide(Enz, IC50= 13.87 m M), a marketed second-generation AR antagonist. Further bioactivity assays suggest that HBP1-51 is an AR agonist, whereas HBP1-58 is an AR antagonist. In addition, molecular dynamics(MD) simulations and principal components analysis(PCA) were carried out to reveal the binding principle of the newlyidentified AR ligands toward AR. Our modeling results indicate that the conformational changes of helix 12 induced by the bindings of antagonist and agonist are visibly different. In summary,the current study provides a highly efficient way to discover novel AR ligands, which could serve as the starting point for development of new therapeutics for AR-related diseases.
At the Worldwide Developers Conference (WWDC) in June 2023, Apple introduced the Vision Pro. The Vision Pro is a Mixed Reality (MR) headset, more specifically it is a Virtual Reality (VR) device with an additional Vid...
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Each extreme seismic event is an opportunity to assess the performance of our infrastructure under circumstances that cannot entirely be reproduced in the laboratory or through numerical simulation. When performing re...
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Automated toll systems rely on proper classification of the passing vehicles. This is especially difficult when the images used for classification only cover parts of the vehicle. To obtain information about the whole...
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In conjunction with the drive towards human-centered design in engineering education, questions arise regarding how students build and engage a socially-Aware engineering identity, and how this identity points towards...
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Learning similarity functions between image pairs with deep neural networks yields highly correlated activations of embeddings. In this work, we show how to improve the robustness of such embeddings by exploiting the ...
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In geometry processing, symmetry is a universal type of high-level structural information of 3D models and benefits many geometry processing tasks including shape segmentation, alignment, matching, and completion. Thu...
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We propose an approach to estimating the 3D pose of a hand, possibly handling an object, given a depth image. We show that we can correct the mistakes made by a Convolutional Neural Network trained to predict an estim...
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