Congratulations to Lillian Chong, Angela Gronenborn, and their joint graduate student, Darian Yang, for receiving a 2025 HPCwire Editors Choice Award for Best Use of HPC in Life Sciences.
Their award-winning study, published in PNAS, used 19F NMR and atomistic simulations to reveal how a subtle twist in a key HIV-1 protein may help the virus enter a host cell’s nuclear pore to initiate infection. Their promising results demonstrated that high-performance simulations using weighted ensemble path sampling, when paired with 19F NMR, can uncover new mechanistic insights for HIV therapeutics or vaccine development.
