Effect of C12H25−(HG) hydrophilic group on the wetting of anthracite: Experimental and molecular simulation by Jiangshi ZHANG, Hongfu JIA, Xiaofeng REN, Yanan WANG, Qi ZHANG, Linquan TONG, Yanhui WANG

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Parametric Studies of Polyacrylamide Adsorption on Calcite Using Molecular Dynamics Simulation by Keat Yung Hue, Jin Hau Lew, Omar K. Matar, Paul F. Luckham, Erich A. Müller

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Experimental and molecular dynamics evaluation of the effect of a sulfate surfactant on the shale’s methane sorption by Hamid Sharifigaliuk, Vahid Khosravi, Mansoor Zoveidavianpoor, Syed Mohammad Mahmood

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Achieving enhanced stabilization and controlled release of curcumin via cross-linked polydopamine particles by Majid Moussaei, Ebrahim Tajik, Vahid Haddadi-Asl, S. Ali Mazloumi, Helia Heydarinasab, Elahe Abdollahi, Fatemeh Haj-Sadeghi, Hanie Ahmadi, Mohammad Reza Gholizadeh

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Effect of NaCl on papain activity with molecular dynamics simulation by HU Xiao, HUANG Yechuan, GUAN Sitong, DAI Wen, HAN Jiayu, LI Diandian

Subjects: “…papain|sodium chloride|molecular simulation|enzyme activity…”
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In silico analysis of human CYP1A1 protein and microplastics interaction by Faijunnesa Rashid, Mustafizur Rahman, Mukul Chandra Sarker, Israt Jahan Tonny, Md. Arman Khan, Muhammad Ataullah

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3D graphene for ultra-high methane and hydrogen storage by Xuan Peng

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α-Mangostin Exhibits Antitumor Activity Against NCI-H1975 Cells via the EGFR/STAT3 Pathway: An Experimental and Molecular Simulation Study by Jing Wang, Jiamin Xian, Ruohan Zhang, Zhuoyi Wang, Shuanggou Zhang, Die Zhao, Jun Sheng, Peiyuan Sun

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Superlubricity achieved by polyvinylpyrrolidone at Si3N4/sapphire interfaces by Hongdong Wang, Zhen Luo, Kunpeng Wang, Yuhong Liu, Jianhua Zhang

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Encapsulation of menthol by cyclodextrins-comparison between experiments and molecular simulations by Sa Xu, Fang Wei, Ximing Xu, Rui Wang, Xiujuan Xu, Wu Fan, Guobi Chai, Qidong Zhang, Qingzhao Shi

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Molecular insights into the inhibition of angiotensin-converting enzyme 1 by hemopressin peptides by Priya Antony, Bincy Baby, Aaesha Rahma, Shamaa Abdul Samad, Yusra Al Dhaheri, Ranjit Vijayan

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Aptamer-based Gold Nanoparticles Colorimetric Method for Rapid Detection of Chlorpyrifos by Yao WANG, Xiyan YANG, Yanfei LI, Jiaxiang HUANG, Sijia LI, Kaile WANG, Aoshun HE, Shilin WANG, Yanyan LI, Zhaozhou LI, Xiujin CHEN, Huaibin KANG

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Quantum Computing in Health Care and Dentistry: Transformative Potential, Applications, and Challenges by Roja Lakshmi Karri, Chinta Priyanka Reddy, Sindhuri Yerra, Juneda Vahid Shaik, Srujananjali Grandhi, Tejaswi Gavidi

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Multi-scale computational analysis of Melanin’s therapeutic potential in skin cancer by Shilpa Valiyaparambil, Janakiraman Kunchithapatham, Muddukrishnaiah Kotakonda, Kamal Yoonus Thajudeen, Saad Ali Alshehri, Mohammed Muqtader Ahmed

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Synergistic Effects of <i>Pyrrosia lingua</i> Caffeoylquinic Acid Compounds with Levofloxacin Against Uropathogenic <i>Escherichia coli</i>: Insights from Molecular Dynamics Simula... by Yan Zhang, Fangfang Jiao, Derong Zeng, Xiang Yu, Yongqiang Zhou, Juan Xue, Wude Yang, Jingjing Guo

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Millettia aboensis leaves extract as eco-friendly corrosion inhibitor for mild steel in acidizing solution: From experimental to molecular level prediction by Fidelis E. Abeng, Benedict I. Ita, Magdalene E. Ikpi, Vitalis I. Chukwuike, Alexander I. Ikeuba, Moses M. Edim, Maduabuchi A. Chidiebere, Abhinay Thakur, Valentine C. Anadebe

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Navigating energy landscapes for materials discovery: Integrating modeling, simulation, and machine learning by Sajid Mannan, Vaibhav Bihani, N. M. Anoop Krishnan, John C. Mauro

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Utilizing molecular simulation, ideal adsorbed solution theory and ensemble learning algorithms to investigate adsorption and separation of sulfides on amorphous nanoporous materia... by Xuan Peng, Xingbang Zhang

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Molecular Dynamics Simulation of Wax Molecular Diffusion Behavior in Waxy Crude Oil Emulsion with Water Content by Tuerxun YILINAER·, Guangjian ZHANG, Li FU, Kaifeng FAN, Weiqiang WANG

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Primary research on expression of kerogen in Longmaxi Shale and its adsorption characteristics by HOU Dali, HAN Xin, TANG Hongming, GUO Jianchun, GONG Fengming, SUN Lei, QIANG Xianyu

Subjects: “…|shale kerogen|molecular structure|adsorption characteristics|molecular simulation|longmaxi formation…”
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