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  • × DOAJ
  • × Molecular dynamics simulation
 全选  【符合条件的数据共：27条】

1 Influence of Defect Number, Distribution Continuity and Orientation on Tensile Strengths of the CNT-Based Networks: A Molecular Dynamics Study [期刊论文]

来源：Nanoscale Research Letters , 2022

作者:Xiaoqiao He;Xuefeng Liu;Xian Shi;等

关键词:CNT-based network;Molecular dynamics simulation;...

使用许可:Unknown

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2 Identify promising IKK-β inhibitors: A docking-based 3D-QSAR study combining molecular design and molecular dynamics simulation [期刊论文]

来源：Arabian Journal of Chemistry , 15卷 , 2022

作者:Chang'en Peng;Chan Xiong;Chunjie Wu;等

关键词:3D-QSAR;Molecular docking;...

使用许可:Unknown

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3 Atomevo: a web server combining protein modelling, docking, molecular dynamic simulation and MMPBSA analysis of Candida antarctica lipase B (CalB) fusion protein [期刊论文]

来源：Bioresources and Bioprocessing , 2022

作者:Jie-Ting Yu;Wei-Ming Gu;Yi-Da Wu;等

关键词:Biofuel;Molecular dynamics simulation;...

使用许可:Unknown

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4 Mechanical stability of lamellar microstructure in TiAl:an atomic-scale study [期刊论文]

来源：Journal of Materials Research and Technology , 2022

作者:Jianxin Zhou;Xu Shen;Yajun Yin;等

关键词:TiAl alloy;Mechanical stability;...

使用许可:Unknown

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5 Effect of topologically close-packed clusters on glass-forming ability of rapidly supercooled MgCuY alloy [期刊论文]

来源：Journal of Materials Research and Technology , 2022

作者:Ze-an Tian;Ting-hong Gao;Qian Chen;等

关键词:Molecular dynamics simulation;Glass-forming ability;...

使用许可:Unknown

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6 Molecular modelling and simulation techniques to investigate the effects of fungal metabolites on the SARS-CoV-2 RdRp protein inhibition [期刊论文]

来源：Journal of King Saud University: Science , 2022

作者:Veeranna S. Hombalimath;Fahad Alsaikhan;Basheerahmed Abdulaziz Mannasaheb;等

关键词:SARS-CoV-2;RdRp;...

使用许可:Unknown

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