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Guobiao Cai, Lihui Liu, Bijiao He, Guilong Ling, Huiyan Weng and Weizong Wang
Chemical and electrical thrusters are generally utilized to control the attitude and orbit of spacecraft in aerospace. When they are firing, the exhaust expands into the vacuum environment, known as the vacuum plume. The plume flow can collide with space...
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Mikhail Lavrentiev, Konstantin Lysakov, Andrey Marchuk, Konstantin Oblaukhov and Mikhail Shadrin
Carbon footprint reduction issues have been drawing more and more attention these days. Reducing the energy consumption is among the basic directions along this line. In the paper, a low-energy approach to tsunami danger evaluation is concerned. After se...
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Yanhong Lin, Jing Wang, Xiaolin Li, Yuanzi Zhang and Shiguo Huang
Quantitative Structure?Activity Relationship (QSAR) aims to correlate molecular structure properties with corresponding bioactivity. Chance correlations and multicollinearity are two major problems often encountered when generating QSAR models. Feature s...
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Maria G. Khrenova,Vladimir G. Tsirelson,Alexander V. Nemukhin
Molecular dynamics simulations with the QM(DFT)/MM potentials are utilized to discriminate between reactive and nonreactive complexes of the SARS-CoV-2 main protease and its substrates. Classification of frames along the molecular dynamic traje...
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Zhangren Tu, Huiting Liu, Jiaying Zhan and Di Guo
Multidimensional nuclear magnetic resonance (NMR) spectroscopy is one of the most crucial detection tools for molecular structure analysis and has been widely used in biomedicine and chemistry. However, the development of NMR spectroscopy is hampered by ...
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