CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.
Herasymenko O, Silva M, Correy GJ, Abu-Saleh AAA, Ackloo S, Arrowsmith C, Ashworth A, Ban F, Beck H, Bishop KP, Bohórquez HJ, Bolotokova A, Breznik M, Chau I, Chen Y, Cherkasov A, Dehaen W, Della Corte D, Denzinger K, Doering NP, Edfeldt K, Edwards A, Fayne D, Gentile F, Gibson E, Gokdemir O, Gunnarsson A, Günther J, Irwin JJ, Jensen JH, Harding RJ, Hillisch A, Hoffer L, Hogner A, Hutchinson A, Kandwal S, Karlova A, Koirala K, Kotelnikov S, Kozakov D, Lee J, Lee S, Lessel U, Liu S, Liu X, Loppnau P, Meiler J, Moretti R, Moroz YS, Muvva C, Oprea TI, Paige B, Pandit A, Park K, Poda G, Protopopov MV, Pütter V, Ravichandran R, Rognan D, Rosta E, Sabnis Y, Scott T, Seitova A, Sharma P, Sindt F, Song M, Steinmann C, Stevens R, Talagayev V, Tararina VV, Tarkhanova O, Tingey D, Trant JF, Treleaven D, Tropsha A, Walters P, Wells J, Westermaier Y, Wolber G, Wortmann L, Zheng S, Fraser JS, Schapira M.
Herasymenko O, et al.
J Chem Inf Model. 2026 Feb 9;66(3):1566-1581. doi: 10.1021/acs.jcim.5c02441. Epub 2026 Jan 21.
J Chem Inf Model. 2026.
PMID: 41565251
Free PMC article.