Molecular Dynamics Simulation Study of Stabilizer Association with the Val122Ile Transthyretin Variant by Kevin Morris, John DeSalvo, Iman Deanparvar, Lucus Schneider, Kaleigh Leach, Matthew George, Yayin Fang

Subjects: “…molecular dynamic simulation…”
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Monochlorotriazinyl-β-cyclodextrin as a promising nanocarrier for pH-responsive doxorubicin delivery: Simulation and experimental validation by Fatemeh Zamani, Mohammad Dinari, Ali Yazdani, Parvin Asadi

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In-Silico Investigation of PAI-1 Structural Changes in Active Forms of The Protein by Kaveh Haji-Allahverdipoor

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The inhibitory activities of two compounds from Securidaca longepedunculata Fresen on the acetylcholinesterase from wheat pest Schizaphis graminum Rondani: in silico analysis by Rasmané Guiré, Pousbila Salo, Eliasse Zongo, Mohamed Fawzy Ramadan, Benjamin Kouliga Koama, Roland Nag-Tiero Meda, Fahad Al-Asmari, Muhammad Abdul Rahim

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Traditional Chinese medicine-based therapeutics for Pediatric pneumonia-related acute lung injury and acute respiratory distress syndrome by Yuexin Pan, Shalesh Gangwar, Mohamed Abbas, Khalid Raza

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Design, synthesis, biological assessments and computational studies of 3-substituted phenyl quinazolinone derivatives as promising anti-cancer agents by Maryam Moghtader Mansouri, Leila Emami, Zahra Rezaei, Soghra Khabnadideh

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Improving the binding affinity of plastic degrading cutinase with polyethylene terephthalate (PET) and polyurethane (PU); an in-silico study by Deves Sabari V L, Gokulnath Rajmohan, Roshine S B, Srivaishnavi S, Kishore Nagasubramanian, Senthil Kumar G, Ponnusami Venkatachalam

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Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulatio... by Reda G. Yousef, Albaraa Ibrahim, Mohamed M. Khalifa, Wagdy M. Eldehna, Ibraheem M. M. Gobaara, Ahmed B. M. Mehany, Eslam B. Elkaeed, Aisha A. Alsfouk, Ahmed M. Metwaly, Ibrahim H. Eissa

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Identification and assessment of hub genes and miRNAs coregulatory associated with immune infiltrations and drug interactions in latent tuberculosis based on MicroarrayData analysi... by PhongSon Dinh, ChauMyThanh Tran, ThiPhuongHoai Dinh, Hai-Anh Ha, Aigul Utegenova, Awais Ali, Abdulaziz Alamri

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Interfacial Characteristics of Graphene/Polymer Nanocomposites by Molecular Dynamics Simulation and Evaluating Effects of that on Mechanical Properties of Nanocomposites by FEM by Hamed Afzali Alvars

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In Silico Analysis Determining the Binding Interactions of NAD(P)H: Quinone Oxidoreductase 1 and Resveratrol via Docking and Molecular Dynamic Simulations by Santosh Kumar Behera, Christoffer B Lambring, Albina Hashmi, Sriharika Gottipolu, Riyaz Basha

Subjects: “…molecular dynamic simulation…”
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Molecular dynamic simulation of the [N(C4H9)4]BF4 / (110) α-Al2O3 interface by Igor Gainutdinov, Nikolay Uvarov

Subjects: “…molecular dynamic simulation…”
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Exploring Carbendazim–Aptamer Interactions via In Silico Modeling and Molecular Dynamics Simulations by Ajay Yadav, Hariprasad Puttaswamy

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Experimental and theoretical insights into the adsorption mechanism of methylene blue on the (002) WO3 surface by Khaoula Hkiri, Hamza Elsayed Ahmed Mohamed, Mohamed Mahrous Abodouh, Malik Maaza

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Inhibitory effect of procyanidin B2 and tannin acid on cholesterol esterase and their synergistic effect with orlistat by Xiangxin Li, Yijing Pu, Haitao Jiang, Wenxiao Jiao, Wenjun Peng, Wenli Tian, Weibo Jiang, Xiaoming Fang

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Structure-threshold relationship in food aroma molecules: Insights from S-curve method, molecular docking, and dynamics simulations by Jingtao Wang, Chenglei Zhang, Jiancai Qian, Shan Wang, Wu Fan, Qingzhao Shi, Jian Mao, Jianping Xie, Qidong Zhang, Guobi Chai

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Improving the antimicrobial activity of RP9 peptide through theoretical and experimental investigation by Mahya Anahid, Karim Mahnam, Behnaz Saffar

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Sculpting multi-epitope vaccine against Monkeypox viral strains using immunoinformatics by Zaira Rehman, Ammad Fahim, Maryam Irtash

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Thermally Induced Ion Magnetic Moment in H₄O Superionic State by Xiao Liang, Junhao Peng, Fugen Wu, Renhai Wang, Yujue Yang, Xingyun Li, Huafeng Dong

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Formulation and evaluation of spirulina, red algae, and jack fruit seed powders infused anti-aging cream: In Silico analysis and physiochemical characteristics by Soundarya Balasubramanian, Stalin Selvaraj

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