Key Publications Prior to Rockefeller

• • Jiankun Lyu, John J. Irwin^*, Brian K. Shoichet^*. Modeling the expansion of virtual screening libraries. Nat. Chem. Biol., 2023, 1-7. [Commentary from Artem Cherkasov] [Commentary from In the Pipeline]

• • Assaf Alon^†, Jiankun Lyu^†, Joao M. Braz^†, Tia A. Tummino, Veronica Craik, Matthew J. O’Meara, Chase M. Webb, Yurii S. Moroz, Xi-Ping Huang, Bryan L. Roth, John J. Irwin, Allan I. Basbaum^*, Brian K. Shoichet^* and Andrew C. Kruse^*. Structures of the σ₂ receptor enable docking for bioactive ligand discovery. Nature, 2021, 759-764.

• • Jiankun Lyu^†, Sheng Wang^†, Trent E. Balius^†, Isha Singh^†, Anat Levit, Yurii S. Moroz, Matthew J. O’Meara, Tao Che, Enkhjargal Algaa, Kateryna Tolmachova, Andrey A. Tolmachev, Brian K. Shoichet^*, Bryan L. Roth^*, John J. Irwin^*. Ultra-large library docking for discovering new chemotypes. Nature, 2019, 566, 224–229. [Commentary in Science, 2019][Nature News and Views, 2019][In the Pipeline, 2019][Practical Fragments Blog, 2019][Drug Target Review, 2019][BiopharmaTrend, 2019][NIH Press Release, 2019][Nature Editorials, 2019][Faculty of 1000]