Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation

por Germano Heinzelmann, Michael K. Gilson
Publicado 2021

Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate

por Shin-Fu Chen, Nan-Lan Huang, Jung-Hsin Lin, Chyuan-Chuan Wu, Ying-Ren Wang, Yu-Jen Yu, Michael K. Gilson, Nei-Li Chan
Publicado 2018

Discovering de novo peptide substrates for enzymes using machine learning

por Lorillee Tallorin, JiaLei Wang, Woojoo E. Kim, Swagat Sahu, Nicolas M. Kosa, Pu Yang, Matthew Thompson, Michael K. Gilson, Peter I. Frazier, Michael D. Burkart, Nathan C. Gianneschi
Publicado 2018