A new study has found naturally-occurring compound inositol hexakisphosphate (IP6) promotes both assembly and maturation of HIV-1. NSF-XSEDE allocations on the Stampede2 supercomputing system at the Texas Advanced Computing Center and on Anton2 at the Pittsburgh Supercomputing Center simulated atomistic interactions of IP6 molecule with HIV structural proteins. The research opens door for development of new treatments of HIV-1 virus.