The objective of this work is to develop a multiscale modeling tool of copolymers with long chains. We propose an enhanced coarse-graining method of thermoplastic polyurethane (TPU) with three beads. The proposed coarse-graining provides an accurate molecular modeling tool to keep the molecular interaction together with computational efficiency. The coarse-grained model with three beads is furt...

Normal mode analysis (NMA) with coarse-grained model, such as elastic network model (ENM), has allowed the quantitative understanding of protein dynamics. As the protein size is increased, there emerges the expensive computational process to find the dynamically important low-frequency normal modes due to diagonalization of massive Hessian matrix. In this study, we have provided the domain deco...

Entity recognition is an important part of natural language processing, but nowadays most entity recognition systems are restricted to a limited set of entity classes (e.g., person, location, organization or miscellaneous). Therefore, fine-grained entity type classification becomes a hot issue to further study. This paper proposed a neural network model based on topic information for fine-grain...

The relevance of neglecting three- and four-body interactions in the coarse-grained version of the Asakura-Oosawa model is examined. A mapping between the first few virial coefficients of the binary nonadditive hard-sphere mixture representative of this model and those arising from the coarse-grained (pairwise) depletion potential approximation allows for a quantitative evaluation of the effect...

In many QA systems, fine-grained named entities are extracted by coarse-grained named entity recognizer and fine-grained named entity dictionary. In this paper, we describe a fine-grained Named Entity Recognition using Conditional Random Fields (CRFs) for question answering. We used CRFs to detect boundary of named entities and Maximum Entropy (ME) to classify named entity classes. Using the pr...

Brain age prediction based on neuroimaging data could help characterize both the typical brain development and neuropsychiatric disorders. Pattern recognition models built upon functional connectivity (FC) measures derived from resting state fMRI (rsfMRI) data have been successfully used to predict the brain age. However, most existing studies focus on coarse-grained FC measures between brain r...

fabrication of ultrafine grained materials by imposing severe plastic deformation for improvement of mechanical and physical properties of metals has been the focus of many researches over the past few years. in this process, a sheet is subjected to repetitive shear deformation conditions by utilizing asymmetrically grooved and flat dies through alternate pressing. in this study, a 2mm thick co...

In this paper we propose an approach to distinguish affordances on a fine-grained scale. We define an anthropomorphic agent model and parameterized affordance models. The agent model is transformed according to affordance parameters to detect affordances in the input data. We present first results on distinguishing two closely related affordances derived from sitting. The promising results supp...

twenty four samples of xenoliths and country rocks from the 1961 lava flow of calbuco volcano have been studied. fourteen samples have been analyzed for major elements and p, ni, ba, cr, v, zr, sc, y, and sr. five of these samples were further analyzed for sm, nd, sr, and pb isotope ratios. seventeen samples were analyzed under the microscope and three samples were analyzed by microprobe for th...

A coarse-grained simulation model for the nucleosome is developed, using a methodology modified from previous work on the ribosome. Protein residues and DNA nucleotides are represented as beads, interacting through harmonic (for neighboring) or Morse (for nonbonded) potentials. Force-field parameters were estimated by Boltzmann inversion of the corresponding radial distribution functions obtain...