STRUCTURES

作品数:1351被引量:2173H指数:16
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相关领域:理学更多>>
相关作者:周梅素裴浩刘玮李亚红张驰云更多>>
相关机构:中国科学院东南大学北京大学天津大学更多>>
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AlphaFold3 versus experimental structures:assessment of the accuracy in ligand-bound G protein-coupled receptors
《Acta Pharmacologica Sinica》2025年第4期1111-1122,共12页Xin-heng He Jun-rui Li Shi-yi Shen H.Eric Xu 
supported by the National Key R&D Program of China(2022YFC2703105 to HEX);The National Natural Science Foundation of China(32130022,82121005);CAS Strategic Priority Research Program(XDB37030103 to HEX);Shanghai Municipal Science and Technology Major Project(2019SHZDZX02 to HEX);Shanghai Municipal Science and Technology Major Project(HEX);the Lingang Laboratory,Grant No.LG-GG-202204-01(HEX).
G protein-coupled receptors(GPCRs)are critical drug targets involved in numerous physiological processes,yet many of their structures remain unresolved due to inherent flexibility and diverse ligand interactions.This ...
关键词:AlphaFold structure-based drug design artificial intelligence GPCR structural biology 
A DFE2-SPCE Method for Multiscale Parametric Analysis of Heterogenous Piezoelectric Materials and Structures
《Computers, Materials & Continua》2025年第4期79-96,共18页Qingxiang Pei Fan Li Ziheng Fei Haojie Lian Xiaohui Yuan 
supported by the Zhumadian 2023 Major Science and Technology Special Project(Grant No.ZMDSZDZX2023002);the Postgraduate Education Reform and Quality Improvement Project of Henan Province(Grant No.YJS2023JD52).
This paper employs the Direct Finite Element Squared(DFE2)method to develop Sparse Polynomial Chaos Expansions(SPCE)models for analyzing the electromechanical properties of multiscale piezoelectric structures.By incor...
关键词:DFE2 SPCE piezoelectric structures parameter analyses 
On Quadratic Left Leibniz Algebras and Related Lie-Yamaguti Structures
《Journal of Mathematical Research with Applications》2025年第2期152-162,共11页A.Nourou ISSA 
A left Leibniz algebra equipped with an invariant nondegenerate skew-symmetric bilinear form(i.e.,a skew-symmetric quadratic Leibniz algebra)is constructed.The notion of T^(*)-extension of Lie-Yamaguti algebras is int...
关键词:Leibniz algebra T^(*)-extension Lie-Yamaguti algebra 
Fermiology with nodal structures in nonsymmorphic superconductor LaNiGa_(2):A de Haas-van Alphen study
《Science China(Physics,Mechanics & Astronomy)》2025年第4期189-197,共9页Houpu Li Ye Yang Mengzhu Shi Yingcai Qian Senyang Pan Kaibao Fan Nan Zhang Kaixin Tang Hongyu Li Zhiwei Wang Jinglei Zhang Chuanying Xi Ziji Xiang Xianhui Chen 
supported by the National Natural Science Foundation of China(Grant Nos.12274390,12488201,12204449,and 12122411);the National Key R&D Program of China(Grant No.2022YFA1602602);the Innovation Program for Quantum Science and Technology(Grant No.2021ZD0302802);the Basic Research Program of the Chinese Academy of Sciences Based on Major Scientific Infrastructures(Grant No.JZHKYPT-2021-08);the Fundamental Research Funds for the Central Universities(Grant No.WK3510000014)。
Topological metals possess various types of symmetry-protected degenerate band crossings.When a topological metal becomes superconducting,the low-energy electronic excitations stemming from the band crossings located ...
关键词:LaNiGa_(2) quantum oscillation fermiology nodal structures 
Research on Optimization of Microperforated Acoustic Structures Based on Genetic Algorithm
《Journal of Electronic Research and Application》2025年第2期110-116,共7页Yang Yu Ruilin Mu 
Microperforated panels(MPP)are widely used in noise control applications due to their excellent sound absorption performance.However,traditional single-layer MPPs suffer from a narrow sound absorption bandwidth,making...
关键词:Microperforated panels Genetic algorithm SOUND-ABSORPTION 
Bioinspired chiral photonic crystals
《Science China Materials》2025年第4期979-997,共19页Jiawei Lv Xiaoqing Gao Zhiyong Tang 
supported by the National Key R&D Program of China(2021YFA1200302 and 2022YFA1205400,Tang Z);Strategic Priority Research Program of Chinese Academy of Sciences(XDB36000000,Tang Z);National Natural Science Foundation of China(92056204,92356304,Tang Z,and 22275042,Gao X);Major Project of Wenzhou Institute,University of Chinese Academy of Sciences(WIUCASQD2020011,Gao X)。
Structural coloration strategies are widely adopted in the living world to manipulate light,offering great inspiration for humans to address the challenges in creating advanced photonic materials with desired performa...
关键词:bioinspiration CHIRALITY photonic crystals bouligand structures gyroid structures 
Cucurbit[6]uril-based supramolecular assembly:its syntheses,structures,capture of heavy metal ions,and sensing properties
《Science China Chemistry》2025年第3期891-899,共9页Yefang Yang Dechao Li Shaowen Qie Shuai Su Ruijie Xu Wenting Li Wenping Hu Ming Hu 
supported by the Natural Science Foundation of Inner Mongolia;the National Natural Science Foundation of China (2021MS02012,21761024,22161032)。
Multidimensional supramolecular assembly(CB[6]-PA)based on cucurbit[6]uril(CB[6])was constructed via the outer-surface interactions of CB[6]with a structure-directing agent of pamoic acid(H_2PA).Most impressively,crys...
关键词:uril supramolecular assembly metal ion capture fluorescence probe 
Synthesis,structures,and properties of metal-organic frameworks based on bipyridyl ligands and isophthalic acid
《无机化学学报》2025年第3期549-560,共12页HOU Jimin LI Mengyang GONG Chunhua ZHANG Shaozhuang ZHAN Caihong XU Hao XIE Jingli 
国家自然科学基金(No.21771088)资助。
(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylene)cyclohexan-1-one(L_(1))and 4-methyl-2,6-bis[(E)-4-(pyridin-4-yl)benzylidene]cyclohexan-1-one(L_(2))were synthesized and combined with isophthalic acid(H_(2)IP),then under...
关键词:bipyridyl ligands metal⁃organic frameworks photocatalytic degradation Knoevenagel condensation 
Coupling Magneto-Electro-Elastic Multiscale Finite Element Method for Transient Responses of Heterogeneous MEE Structures
《Computers, Materials & Continua》2025年第3期3821-3841,共21页Xiaolin Li Xinyue Li Liming Zhou Hangran Yang Xiaoqing Yuan 
supported by the National Natural Science Foundation of China(Grant Nos.42102346,42172301).
Magneto-electro-elastic(MEE)materials are widely utilized across various fields due to their multi-field coupling effects.Consequently,investigating the coupling behavior of MEE composite materials is of significant i...
关键词:Multiscale finite element method heterogeneous materials transient responses MAGNETO-ELECTRO-ELASTIC multiscale basis function 
Machine learning model for predicting corneal stiffness and identifying keratoconus based on ocular structures
《Intelligent Medicine》2025年第1期66-72,共7页Longhui Li Yifan Xiang Xi Chen Duoru Lin Lanqin Zhao Jun Xiao Zhenzhe Lin Jianyu Pang Xiaotong Han Lixue Liu Yuxuan Wu Zhenzhen Liu Jingjing Chen Jing Zhuang Keming Yu Haotian Lin 
supported by the Science and Technology Planning Projects of Guangdong Province(Grant No.2018B010109008);the Guangzhou Key Laboratory Project(Grant No.202002010006);the Key-Area Research and Development of Guangdong Province(Grant No.2020B1111190001).
Background Corneal stiffness abnormalities play an important role in the onset and progression of keratoconus.However,the limited availability of specialty devices for measuring corneal stiffness restricts their appli...
关键词:Machine learning Corneal biomechanics KERATOCONUS 
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