Published August 29, 2023
| Version v1
Dataset
Open
Molecular dynamics simulation trajectories for the GB99dms implicit solvent force field
Description
Molecular dynamics simulation trajectories used in training and validating the GB99dms implicit solvent protein force field. See the paper:
- Greener JG. Differentiable simulation to develop molecular dynamics force fields for disordered proteins, Chemical Science 15, 4897-4909 (2024)
For more information, including structure files for these trajectories, see https://github.com/greener-group/GB99dms.