Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
D. Huggins, P. Biggin, M. A. Dämgen, J. Essex, Sarah A. Harris, Richard H. Henchman, S. Khalid, Antonija Kuzmanic, C. Laughton, J. Michel, A. Mulholland, E. Rosta, M. Sansom, Marc W. van der Kamp
WIREs Computational Molecular Science