Research on the Root Cutting Mechanism of Involute Gears Machining Using the Generating Method by Zhang Wei, Hou Keqing, Zhou Yanfang

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Analysis of Influencing Factors of Speed Fluctuation of Oval Arc Tooth Line Cylindrical Gears by Huang Jiaming, Song Aiping, Yu Chenwei, Qiu Zhou

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Li+ diffusion in crystalline lithium silicides: influence of intrinsic point defects by Christoph Kirsch, Christian Dreßler, Daniel Sebastiani

Subjects: “…first principles molecular dynamics simulations…”
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Discovering broad-spectrum inhibitors for SARS-CoV-2 variants: a cheminformatics and biophysical approach targeting the main protease by Safar M. Alqahtani

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Mining scraper conveyor sprocket replacement and repair evaluation method by LIU Huifeng, GAO Zhong, ZHAO Lijia

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Dimer Is Not Double: The Unexpected Behavior of Two-Floor Peptide Nanosponge by Grazia Maria Lucia Messina, Marta De Zotti, Alvaro S. Siano, Claudia Mazzuca, Giovanni Marletta, Antonio Palleschi

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Study on SHP2 Conformational Transition and Structural Characterization of Its High-Potency Allosteric Inhibitors by Molecular Dynamics Simulations Combined with Machine Learning by Baerlike Wujieti, Mingtian Hao, Erxia Liu, Luqi Zhou, Huanchao Wang, Yu Zhang, Wei Cui, Bozhen Chen

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Kinematics Analysis and Dynamic Simulation of the Crank-group Driving Mechanism by Wang Yuqi, Liu Shoufa, Cao Jujiang

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Dummy Template Molecularly Imprinted Polymers for Electrochemical Detection of Cardiac Troponin I: A Combined Computational and Experimental Approach by Mohammad Sadegh Sadeghi Googheri, Davide Campagnol, Paolo Ugo, Samira Hozhabr Araghi, Najmeh Karimian

Subjects: “…molecular dynamics simulations…”
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Atomistic behavior of Cu–Cu solid-state bonding in polycrystalline Cu with high-density boundaries by Hiroaki Tatsumi, C.R. Kao, Hiroshi Nishikawa

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Pharmacognostic analysis and antimalarial evaluation of quercetin in Ilex umbellulata bark using HPTLC, in vitro screening, molecular docking, and network pharmacology by James H. Zothantluanga, Dipak Chetia, Yasangam Umbon, T. C. Lalhriatpuii, Dhritiman Roy, Nidahun Lamare, Salem Lalvenhimi

Subjects: “…Ilex umbellulata extracts; Antimalarial activity of quercetin; Pharmacognostic screening; HPTLC standardization; Molecular docking and dynamic simulation; Network pharmacology…”
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HA198 mutations in H9N2 avian influenza: molecular dynamics insights into receptor binding by Rui Zhu, Rui Zhu, Rui Zhu, Jie Wu, Ruiying Chen, Mo Zhou, Mo Zhou, Mo Zhou, Shinuo Cao, Shinuo Cao, Shinuo Cao, Zhi Wu, Zhi Wu, Zhi Wu, Ligang Wang, Lei Zhang, Shanyuan Zhu, Shanyuan Zhu, Shanyuan Zhu

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Leveraging Non-Covalent Adaptable Networks to Stabilize Drug-Polymer Systems in Supersaturated Solutions: A Computational and Experimental Approach by Arif Budiman, Taufik Muhammad Fakih, Sandra Megantara, Muchtaridi Muchtaridi, Diah Lia Aulifa

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A strategy to improve the adsorption capacity of OPs-dye pollutants from the aqueous environment using adsorbents based on 2D transition metal carbides (V2CTx) by Ali Bina, Heidar Raissi

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Identification of natural compound inhibitors for substrate-binding site of MTHFD2 enzyme: Insights from structure-based drug design and biomolecular simulations by Nisarg Rana, Priyanka Solanki, Rukmankesh Mehra, Anu Manhas

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Research Progress on Nano-Confinement Effects in Unconventional Oil and Gas Energy—With a Major Focus on Shale Reservoirs by Guo Wang, Rui Shen, Shengchun Xiong, Yuhao Mei, Qinghao Dong, Shasha Chu, Heying Su, Xuewei Liu

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pH‐Dependent Assembly and Stability of Toll‐Like Receptor 3/dsRNA Signaling Complex: Insights from Constant pH Molecular Dynamics and Metadynamics Simulations by Penghui Li, Mingsong Shi, Yibo Wang, Qiong Liu, Xiubo Du, Xiaohui Wang

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Structural and free energy landscape analysis for the discovery of antiviral compounds targeting the cap-binding domain of influenza polymerase PB2 by Amr S. Abouzied, Saad Alqarni, Kareem M. Younes, Sanad M. Alanazi, Dana M. Alrsheed, Rawabi K. Alhathal, Bader Huwaimel, Akram M. Elkashlan

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Vector Bond Graph Method for the Dynamic Simulation of RRR-RRP Six Bar Press Linkage with Joint Clearance by Zhongshuang Wang, Jing Wei, Jiuzheng Yin

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多层组合回转筛的动力学仿真分析 Dynamic simulation analysis of multilayer combined rotary screen by 张野，张超，张昊晨，刘海芃，高涛 ZHANG Ye, ZHANG Chao,ZHANG Haochen, LIU Haipeng, GAO Tao

Subjects: “…多层组合回转筛；虚拟样机；动力学仿真 multilayer combined rotary screen； virtual prototyping； dynamic simulation…”
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