BiophysicsbioRxiv
SMOG 2 and OpenSMOG: Extending the limits of structure-based models
A. B. Oliveira, V. Contessoto, A. Hassan…·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.
DOI 10.1002/pro.4209