Membrane proteins are considered the major source of drug targets and are indispensable for drug design and disease prevention. However, traditional biomechanical experiments are costly and time-consuming; thus, many computational methods for predicting membrane protein types are gaining popularity. The position-specific scoring matrix (PSSM) method is an excellent method for describing the evolutionary information of protein sequences. In this study, we propose an improved capsule neural network (ICNN) model based on a capsule neural network to acquire sufficient relevant information from the PSSM. Furthermore, accounting for the complementarity between traditional machine learning and deep learning, we propose a hybrid framework that combines both approaches to predict protein types. This framework trains 41 baseline models based on the PSSM. The optimal subset features, selected after traversal, are fused using a two-level decision-level feature fusion approach. Subsequently, comparisons are made using three combined strategies within an ensemble learning framework. The experimental results demonstrate that solely relying on PSSM input, the proposed method not only surpasses the optimal methods by 1.52 , 2.26 and 2.67 on Dataset1, Dataset2, and Datasets3, respectively, but also exhibits superior generalizability. Furthermore, the code and dataset can be free download at https://github.com/ruanxiaoli/membrane-protein-types .
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http://dx.doi.org/10.1038/s41598-024-68163-7 | DOI Listing |
Osteoporos Int
January 2025
Academy for Engineering and Technology, Fudan University, Shanghai, China.
Unlabelled: This study utilized deep learning for bone mineral density (BMD) prediction and classification using biplanar X-ray radiography (BPX) images from Huashan Hospital Medical Checkup Center. Results showed high accuracy and strong correlation with quantitative computed tomography (QCT) results. The proposed models offer potential for screening patients at a high risk of osteoporosis and reducing unnecessary radiation and costs.
View Article and Find Full Text PDFChaos
January 2025
Complex Systems Group, Department of Mathematics and Statistics, The University of Western Australia, Crawley, Western Australia 6009, Australia.
We propose a universal method based on deep reinforcement learning (specifically, soft actor-critic) to control the chimera state in the coupled oscillators. The policy for control is learned by maximizing the expectation of the cumulative reward in the reinforcement learning framework. With the aid of the local order parameter, we design a class of reward functions for controlling the chimera state, specifically confining the spatial position of coherent and incoherent domains to any desired lateral position of oscillators.
View Article and Find Full Text PDFJ Chem Phys
January 2025
School of Chemistry, Beihang University, Beijing 100191, China.
Dynamic density functional theory (DDFT) is a fruitful approach for modeling polymer dynamics, benefiting from its multiscale and hybrid nature. However, the Onsager coefficient, the only free parameter in DDFT, is primarily derived empirically, limiting the accuracy and broad application of DDFT. Herein, we propose a machine learning-based, bottom-up workflow to directly extract the Onsager coefficient from molecular simulations, circumventing partly heuristic assumptions in traditional approaches.
View Article and Find Full Text PDFPlant Divers
November 2024
Germplasm Bank of Wild Species & Yunnan Key Laboratory of Crop Wild Relatives Omics, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, China.
The angiosperm family Elaeagnaceae comprises three genera and . 100 species distributed mainly in Eurasia and North America. Little family-wide phylogenetic and biogeographic research on Elaeagnaceae has been conducted, limiting the application and preservation of natural genetic resources.
View Article and Find Full Text PDFJ Phys Chem C Nanomater Interfaces
January 2025
Instituto de Nanociencia y Materiales de Aragón (INMA), CSIC - Universidad de Zaragoza, Plaza San Francisco s/n, Zaragoza 50009, Spain.
A strategy toward the realization of a quantum spin processor involves the coupling of spin qubits and qudits to photons within superconducting resonators. To enable the realization of such hybrid architecture, here we first explore the design of a chip with multiple lumped-element LC superconducting resonators optimized for their coupling to distinct transitions of a vanadyl porphyrin electronuclear qudit. The controlled integration of the vanadyl qudit onto the superconducting device, both in terms of number and orientation, is then attained using the formation of nanosheets of a 2D framework built on the vanadyl qudit as a node.
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