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	Mechanical Properties of 3D-Printed Polymeric Cellular Structures Based on Bifurcating Triply Periodic Minimal Surfaces 期刊论文 ADVANCED ENGINEERING MATERIALS, 2025, 卷号: 27, 期号: 9 作者: Zhang, Yanhong; Zhang, Junming; Chen, Xiaotian; Yang, Weidong; Chen, Hao 收藏 \| 浏览/下载：42/0 \| 提交时间：2025/04/11 Bifurcation (mathematics) Biped locomotion Compression testing Stress analysis Structural dynamics 3-D printing 3D-printing Bifurcating Cellular structure Deformation mechanism Mechanical Property Stresses distribution Structure-based Triply periodic minimal surfaces
	Potency Prediction of Covalent Inhibitors against SARS-CoV-2 3CL-like Protease and Multiple Mutants by Multiscale Simulations 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 24, 页码: 9501-9516 作者: Muya Xiong; Tianqing Nie; Zhewen Li; Meiyi Hu; Haixia Su Adobe PDF(7488Kb) \| 收藏 \| 浏览/下载：300/6 \| 提交时间：2024/12/02 Binding energy Molecular docking Structural dynamics Coronaviruses Covalent reaction Dynamics simulation Expert knowledge Hybrid QM/MM Inhibition mechanisms Multi-scale simulation Pathogenics Reaction mechanism Structure based drug designs
	Surface properties of non-passivated nickel-based alloys in H2O-bearing environments by theoretical calculations: Atomic modification effects from alloying additions 期刊论文 JOURNAL OF APPLIED PHYSICS, 2024, 卷号: 135, 期号: 20 作者: Yin, Ya-Ru; Wang, Han; Yang, Yu-Qi; Hai, Xue; Li, Zhen-Hui Adobe PDF(1869Kb) \| 收藏 \| 浏览/下载：378/9 \| 提交时间：2024/06/07 Alloying Atoms Corrosive effects Electrochemical electrodes Electronic structure Molecules Nickel alloys Oxygen Passivation Surface properties Surface segregation Alloying additions Alloying compositions Electrode potentials Modification effect Ni atoms Ni(111) Nickel based alloy Potential shift Surface layers Theoretical calculations
	Flipping the GPCR Switch: Structure-Based Development of Selective Cannabinoid Receptor 2 Inverse Agonists 期刊论文 ACS CENTRAL SCIENCE, 2024, 卷号: 10, 期号: 5, 页码: 956-968 作者: Kosar, Miroslav; Sarott, Roman C.; Sykes, David A.; Viray, Alexander E. G.; Vitale, Rosa Maria Adobe PDF(8180Kb) \| 收藏 \| 浏览/下载：281/0 \| 提交时间：2024/04/12 Fluorescence imaging Ligands Molecular dynamics Proteins American Chemical Society Cannabinoid receptors Functional response G protein coupled receptors High affinity Inverse agonists Rational design Receptor ligands Structure-based Switch structure
	Cu-OFF/ERI Zeolite: Intergrowth Structure Synergistically Boosting Selective Catalytic Reduction of NOx with NH3 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 卷号: 146, 期号: 11, 页码: 7605-7615 作者: Han, Jinfeng; Li, Junyan; Zhao, Wenru; Li, Lin; Chen, Mengyang Adobe PDF(7346Kb) \| 收藏 \| 浏览/下载：267/2 \| 提交时间：2024/04/12 Ammonia Catalyst activity Copper compounds Density functional theory Nitrogen oxides Selective catalytic reduction Temperature Cu based zeolites Density-functional theory calculations Diesel exhausts Intergrowth Intergrowth structure NO x Offretite Organic templates Organotemplate-free Selective catalytic reduction of NO
	Design, synthesis, and biological evaluation of 1,2,4-triazole derivatives as potent antitubercular agents 期刊论文 CHINESE CHEMICAL LETTERS, 2024, 卷号: 35, 期号: 3 作者: Wen, Yu; Lun, Shichun; Jiao, Yuxue; Zhang, Wei; Hu, Tianyu Adobe PDF(3352Kb) \| 收藏 \| 浏览/下载：293/3 \| 提交时间：2024/03/04 Tuberculosis MDR and XDR-TB MmpL3 inhibitor 4-Triazole Structure -based drug design
	K-promoted cobalt-based catalysts for heterogeneous hydroformylation 期刊论文 CATALYSIS SCIENCE & TECHNOLOGY, 2024, 卷号: 14, 期号: 4, 页码: 885-893 作者: Ti, Jingrui; Gong, Kun; Cui, Dinghao; An, Yunlei; Lin, Tiejun Adobe PDF(2463Kb) \| 收藏 \| 浏览/下载：326/0 \| 提交时间：2024/02/23 Catalyst activity Catalyst selectivity Cobalt Electronic structure Hydroformylation 1-octene Catalytic performance Cobalt-based catalysts Heterogeneous hydroformylations High activity High selectivity Promotional effect Reaction pressure Synthesised ]+ catalyst
	The study and optimization of ICP deep etching at a low-temperature for InP solid-immersion metalens fabrication 期刊论文 MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2023, 卷号: 166 作者: Zhu, Yicheng; Wang, Wenjuan; Zhou, Min; Qu, Huidan; Li, Guanhai Adobe PDF(6984Kb) \| 收藏 \| 浏览/下载：488/1 \| 提交时间：2023/07/28 Aspect ratio Chlorine compounds Etching Fabrication III-V semiconductors Inductively coupled plasma Optimization Photodetectors Photons Semiconducting indium Semiconducting indium gallium arsenide Semiconducting indium phosphide Temperature Deep etching Etching process High aspect ratio structure fabrication High aspect ratio structures Inductively coupled plasma deep etching Inductively-coupled plasma InP based Lows-temperatures MetaLens Structure fabrication
	Computing the relative binding affinity of ligands based on a pairwise binding comparison network 期刊论文 NATURE COMPUTATIONAL SCIENCE, 2023, 卷号: 3, 期号: 10, 页码: 860-872 作者: Yu, Jie; Li, Zhaojun; Chen, Geng; Kong, Xiangtai; Hu, Jie Adobe PDF(3742Kb) \| 收藏 \| 浏览/下载：511/157 \| 提交时间：2023/11/10 Binding energy Computational efficiency Structural optimization Web services Attention mechanisms Comparison networks Drug discovery Fine tuning Lead optimization Network-based Prediction accuracy Relative binding affinity Structure-based Tuning operation
	High-member low-dimensional Sn-based perovskite solar cells 期刊论文 SCIENCE CHINA CHEMISTRY, 2023, 卷号: 66, 期号: 2, 页码: 459-465 作者: Li, Hansheng; Zang, Zihao; Wei, Qi; Jiang, Xianyuan; Ma, Mingyu Adobe PDF(1505Kb) \| 收藏 \| 浏览/下载：572/0 \| 提交时间：2023/03/10 onversion efficiency Crystal orientation Crystallization kinetics Perovskite solar cells Solar power generation Thin films Carrier diffusion length Lead-free perovskite solar cell Lead-free perovskites Low dimensional Low dimensional structure Optoelectronics devices Perovskite films Quasi-2d Sn-based perovskite Thin film photovoltaics

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