Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity by Huggins, DJ, Biggin, PC, Dämgen, MA, Essex, JW, Harris, SA, Henchman, RH, Khalid, S, Kuzmanic, A, Laughton, CA, Michel, J, Mulholland, AJ, Rosta, E, Sansom, MSP, Van Der Kamp, MW