Coarse-grained simulations of long intrinsically disordered proteins: a benchmark of Martini 3 force-fields
Christina Goss, Camilo A. Aponte-Santamaria, Frauke Gräter
The paper benchmarks four Martini 3 force-field variations for simulating long intrinsically disordered proteins up to 809 amino acids and finds that general rescaling of interaction parameters better reproduces experimental compaction levels.