SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
SARS-CoV-2 模拟达到百亿亿次级规模,以预测蛋白质组中突触核蛋白的剧烈开放和隐蔽口袋。
期刊:Nature Chemistry
影响因子:20.2
doi:10.1038/s41557-021-00707-0
Zimmerman, Maxwell I; Porter, Justin R; Ward, Michael D; Singh, Sukrit; Vithani, Neha; Meller, Artur; Mallimadugula, Upasana L; Kuhn, Catherine E; Borowsky, Jonathan H; Wiewiora, Rafal P; Hurley, Matthew F D; Harbison, Aoife M; Fogarty, Carl A; Coffland, Joseph E; Fadda, Elisa; Voelz, Vincent A; Chodera, John D; Bowman, Gregory R