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Implementation of dynamic coupling in hybrid Molecular Dynamics–Lattice Boltzmann approach: Modeling aggregation of amphiphiles

[论文作者]Xiang Yu_Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, United States of America;;Meenakshi Dutt_Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, United States of America
[类型]外文期刊
Molecular Dynamics–Lattice Boltzmann;Dynamic coupling;LAMMPS;Martini-based implicit solvent coarse-grained force field;Amphiphiles;Phospholipids
Abstract(#br)Amphiphile-based aggregates are extensively used in numerous applications for encapsulation, storage, transport and delivery of toxic, active molecules due to the structural pro...
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