Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. - Carsten Kutzner; Szilárd Páll; Martin Fechner; Ansgar Esztermann; Bert L. de Groot; Helmut Grubmüller (J. Comput. Chem., 2015)

More bang for your buck: Improved use of GPU nodes for GROMACS 2018. - Carsten Kutzner; Szilárd Páll; Martin Fechner; Ansgar Esztermann; Bert L. de Groot; Helmut Grubmüller (J. Comput. Chem., 2019)