国家自然科学基金(11202026)

作品数：3被引量：4H指数：1
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相关期刊：《Theoretical & Applied Mechanics Letters》《Medicine in Novel Technology and Devices》《Acta Mechanica Sinica》更多>>
相关主题：MOLECULAR_DYNAMICS_SIMULATIONIONSBINDINGSTRENGTHECTODOMAIN更多>>
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Protein conformational transitions coupling with ligand interactions:Simulations from molecules to medicine被引量：1
《Medicine in Novel Technology and Devices》2019年第3期16-25,共10页Dechang Li Baohua Ji 
supported by the Natural Science Foundation of China(Grants No.11932017,11772055,11772054,11221202,11202026,and 11532009);the Fundamental Research Funds for the Central Universities(Grant No.2019QNA4060).
The functions and activities of proteins are closely related to their structures and dynamics,and their interactions with ligands.Knowledge of the mechanistic events of proteins’conformational transitions and interac...
关键词：Conformational transition Protein-ligand interaction Drug design Molecular dynamics simulation HIV-1 protease Adenylate kinase 
Mechanics of water pore formation in lipid membrane under electric field
《Acta Mechanica Sinica》2017年第2期234-242,共9页Bing Bu Dechang Li Jiajie Diao Baohua Ji 
supported by the National Natural Science Foundation of China (Grants 11372042, 11221202, 11532009, and 11202026)
Transmembrane water pores are crucial for substance transport through cell membranes via membrane fusion, such as in neural communication. However, the molecular mechanism of water pore formation is not clear. In this...
关键词：Cell membrane Membrane fusion Water pore formation Electric field Molecular dynamics simulation 
Quantification of the stiffness and strength of cadherin ectodomain binding with different ions被引量：3
《Theoretical & Applied Mechanics Letters》2014年第3期55-60,共6页Zhiyang Xu Dechang Li Baohua Ji 
supported by the National Natural Science Foundation of China(11025208,11221202,11372042,and 11202026);the Excellent Young Scholars Research Fund of Beijing Institute of Technology
The stiffness and strength of extracellular （EC） region of cadherin are proposed to be two important mechanical properties both for cadherin as a mechanotransductor and for the formation of cell-cell adhesion. In th...
关键词：cell-cell adhesion CADHERIN STIFFNESS STRENGTH molecular dynamic simulations 
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