BiophysicsThe Journal of Chemical PhysicsPeer-reviewed
Framework for Martini-based Coarse-grained Model of Enzymes: Model Development and Experimental Validation
Mason Hooten, N. Sanjeeva Murthy, Nityananda Pal…·Meenakshi Dutt
The paper develops and validates coarse-grained models of enzymes using a top-down approach, showing agreement between simulated and experimental structural measures.