Concepedia

Molecular dynamics study of “quasi-gemini” surfactant at n-decane/water interface: The synergistic effect of hydrophilic headgroups and hydrophobic tails of surfactants on the interface properties

Simeng Gao, Xinxin Bao, Lintao Yu, Hainan Wang, Junyan Li, Xi Chen

Colloids and Surfaces A Physicochemical and Engineering Aspects · 2021 · 25 citations · 42 references

DOI

Concepts

References

42

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

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GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

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LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations

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GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 16K citations · Full text

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