SMOG 2 and OpenSMOG: Extending the limits of structure-based models
A. B. Oliveira, V. Contessoto, A. Hassan, S. Byju, A. Wang, Y. Wang, E. G. Dodero Rojas, U. Mohanty, J. Noel, J. N. Onuchic, P. C. Whitford
This paper introduces SMOG 2 and OpenSMOG, extending structure-based models to handle large biomolecular systems with enhanced customization and integration with OpenMM.
bioRxiv · Aug 15, 2021Biophysics