Concepedia

Optimizing biodegradable plastics: Molecular dynamics insights into starch plasticization with glycerol and oleic acid

Diana Margarita Mojica‐Muñoz, Karla Lizbeth Macías-Sánchez, Estefanía Odemaris Juárez-Hernández, Aurora Rodríguez‐Álvarez, Jean‐Michel Grévy, Armando Díaz-Valle, Mauricio Carrillo‐Tripp, José Marcos Falcón-González

Journal of Molecular Graphics and Modelling · 2023 · 12 citations · 68 references

DOI

Concepts

References

68

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

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Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 20.2K citations

, , +15

GROMACS: Fast, flexible, and free

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

, , +17

Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text

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