Concepedia

Molecular dynamics simulation to explore the synergistic inhibition effect of kinetic and thermodynamic hydrate inhibitors

Zhi Li, Yue Zhang, Yimao Shen, Liwei Cheng, Bei Liu, Kele Yan, Guangjin Chen, Tianduo Li

Energy · 2021 · 72 citations · 32 references

DOI

Concepts

References

32

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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Computer Simulation Using Particles

R. W. Hockney, J.W. Eastwood · 1988 · 2.1K citations

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Structure and energetics of ligand binding to proteins: <i>Escherichia coli</i> dihydrofolate reductase‐trimethoprim, a drug‐receptor system

Pnina Dauber‐Osguthorpe, Victoria A. Roberts, David J. Osguthorpe et al. · Proteins Structure Function and Bioinformatics · 1988 · 2.1K citations

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Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

Jeffrey J. Potoff, J. Ilja Siepmann · AIChE Journal · 2001 · 2K citations

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A potential model for the study of ices and amorphous water: TIP4P/Ice

J. L. F. Abascal, Eduardo Sanz, Ramón Fernández et al. · The Journal of Chemical Physics · 2005 · 1.6K citations

, , +12