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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Research on thermal aging characteristics of silicone rubber composite materials for dry-type distribution transformers by Li Woyang, Zhou Lijun, Qian Yunyun, Lei Qian, Xia Yingyi, Wang Dongyang

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Discovery of anti-Ebola virus multi-target inhibitors from traditional Chinese medicine database using molecular screening, biophysical investigation, and binding free energy calcu... by Abbas Khan, Abrar Mohammad Sayaf, Anwar Mohammad, Fahad M. Alshabrmi, Tarek Benameur, Dong-Qing Wei, Kar Kheng Yeoh, Abdelali Agouni

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Organophosphate esters inhibit enzymatic proteolysis through non-covalent interactions by Zeming Wang, Wei Zhang, Xiaojie Hu, Yanzheng Gao

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Hemoglobin-Derived Antioxidant Peptides from Beef Cattle in Ningxia: Identification Based on Computerized Screening and Molecular Docking by XU Feiran, WANG Yu, WANG Xiaojing, CUI Wei, WANG Yongkun, ZHOU Hui, WANG Zhaoming, CAI Kezhou, ZHANG Bao, XU Baocai

Subjects: “…computerized screening; molecular simulation; hemoglobin of ningxia beef cattle; antioxidant peptides; identification…”
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Viral entry mechanisms: the role of molecular simulation in unlocking a key step in viral infections by Mariana Valério, Carolina C. Buga, Manuel N. Melo, Cláudio M. Soares, Diana Lousa

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Neural network potentials for exploring condensed phase chemical reactivity by Gomez, Axel, de la Puente, Miguel, David, Rolf, Laage, Damien

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