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cond-mat.mtrl-sci2021★ 171 cited
Polyply: a python suite for facilitating simulations of (bio-)macromolecules and nanomaterials
Fabian Grünewald, Riccardo Alessandri, Peter C. Kroon +3
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files…
cond-mat.mtrl-sci2020
The Martini Model in Materials Science
Riccardo Alessandri, Fabian Grünewald, Siewert J. Marrink
The Martini model, a coarse-grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft mater…