171 citations · 211 across the 3 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…
Martini 3 Coarse-Grained Force Field for Carbohydrates
Fabian Grünewald, Mats H. Punt, Elizabeth E. Jefferys +8
The Martini 3 force field is a full re-parametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance it allows for more…
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…