id author title date pages extension mime words sentence flesch summary cache txt mc87pn91r8k Kevin William Kastner Molecular Dynamics and Virtual Screening of the Octopamine Receptor: A GPCR Computational Biochemical Analysis 1904 .txt text/plain 353 12 24 My results show that aMD simulations run on GPUs can successfully obtain the active and inactive state conformations of a GPCR on this reduced timescale. However, accelerated Molecular Dynamics (aMD) simulations can reduce this timescale to even hundreds of nanoseconds, while running the simulations on Graphics Processing Units (GPUs) would enable even small clusters of GPUs to have processing power equivalent to hundreds of CPUs. cache/mc87pn91r8k.txt txt/mc87pn91r8k.txt