Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

Elissa A. Fink (Contributor)
Conner Bardine (Contributor)
Stefan Gahbauer (Contributor)
Isha Singh (Contributor)
Tyler C. Detomasi (Contributor)
Kris White (Contributor)
Shuo Gu (Contributor)
Xiaobo Wan (Contributor)
Jun Chen (Contributor)
Beatrice Ary (Contributor)
Isabella Glenn (Contributor)
Joseph O'Connell (Contributor)
Henry O'Donnell (Contributor)
Pavla Fajtová (Contributor)
Jiankun Lyu (Contributor)
Seth Vigneron (Contributor)
Nicholas J. Young (Contributor)
Ivan S. Kondratov (Contributor)
Arghavan Alisoltani (Contributor)
Lacy M. Simons (Contributor)
Ramon Lorenzo Redondo (Contributor)
Egon Anderson Ozer (Contributor)
Judd Franklin Hultquist (Contributor)
Anthony J. O'Donoghue (Contributor)
Yurii S. Moroz (Contributor)
Jack Taunton (Contributor)
Adam R. Renslo (Contributor)
John J. Irwin (Contributor)
A. Garcia-Sastre (Contributor)
Brian K. Shoichet (Contributor)
Charles S. Craik (Contributor)

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2023
Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Fink, E. A., Bardine, C., Gahbauer, S., Singh, I., Detomasi, T. C., White, K., Gu, S., Wan, X., Chen, J., Ary, B., Glenn, I., O'Connell, J., O'Donnell, H., Fajtová, P., Lyu, J., Vigneron, S., Young, N. J., Kondratov, I. S., Alisoltani, A. & Simons, L. M. & 11 others, Lorenzo-Redondo, R., Ozer, E. A., Hultquist, J. F., O'Donoghue, A. J., Moroz, Y. S., Taunton, J., Renslo, A. R., Irwin, J. J., García-Sastre, A., Shoichet, B. K. & Craik, C. S., Aug 2023, In: Protein Science. 32, 8, e4712.
Research output: Contribution to journal › Article › peer-review

Open Access
11 Scopus citations