Optimizing Hardware Architecture for Screening and Selection of Enzyme Variants

Enzyme engineering is a highly sophisticated and time intensive process. In order to complement in-vitro studies and streamline the screening process for the selection of enzyme variants, in-silico analyses provide a suitable platform, as various steps can be efficiently automated with little to no burden on time and resources. In this study, we provide a thorough optimization of various commercially available hardware for use of towards in-silico tools such as GROMACS, which can be further used for establishing screening protocols. (In preparation)