Researchers in statistical shape analysis often analyze outlines of objects. Even though these contours are infinite-dimensional in theory, they must be discretized in practice. When discretizing, it is important to reduce the number of sampling points considerably to reduce computational costs, but to not use too few points so as to result in too much approximation error.
View Article and Find Full Text PDFMycobacterium tuberculosis infection features various disease outcomes: clearance, latency, active disease, and latent tuberculosis infection (LTBI) reactivation. Identifying the decisive factors for disease outcomes and progression is crucial to elucidate the macrophages-tuberculosis interaction and provide insights into therapeutic strategies. To achieve this goal, we first model the disease progression as a dynamical shift among different disease outcomes, which are characterized by various steady states of bacterial concentration.
View Article and Find Full Text PDFMany researchers have studied the relationship between the biological functions of proteins and the structures of both their overall backbones of amino acids and their binding sites. A large amount of the work has focused on summarizing structural features of binding sites as scalar quantities, which can result in a great deal of information loss since the structures are three-dimensional. Additionally, a common way of comparing binding sites is via aligning their atoms, which is a computationally intensive procedure that substantially limits the types of analysis and modeling that can be done.
View Article and Find Full Text PDFThis paper presents nonparametric two-sample bootstrap tests formeans of randomsymmetric positivedefinite (SPD) matrices according to two differentmetrics: the Frobenius (or Euclidean)metric, inherited from the embedding of the set of SPD metrics in the Euclidean set of symmetric matrices, and the canonical metric, which is defined without an embedding and suggests an intrinsic analysis. A fast algorithm is used to compute the bootstrap intrinsic means in the case of the latter. The methods are illustrated in a simulation study and applied to a two-group comparison of means of diffusion tensors (DTs) obtained from a single voxel of registered DT images of children in a dyslexia study.
View Article and Find Full Text PDFComparison of the binding sites of proteins is an effective means for predicting protein functions based on their structure information. Despite the importance of this problem and much research in the past, it is still very challenging to predict the binding ligands from the atomic structures of protein binding sites. Here, we designed a new algorithm, TIPSA (Triangulation-based Iterative-closest-point for Protein Surface Alignment), based on the iterative closest point (ICP) algorithm.
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