171 citations · 209 across the 2 of their papers we have counts for
3 papers
Martinize2 and Vermouth: Unified Framework for Topology Generation
Peter C. Kroon, Fabian Grünewald, Jonathan Barnoud +5
Ongoing advances in force field and computer hardware development enable the use of molecular dynamics (MD) to simulate increasingly complex systems with the ultimate goal of reach…
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…
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…