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A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann… See abstract for full author list ➔ Schimunek J, et al. Among authors: zhang kyj. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243 Free article.
PAR: a PARallel and distributed job crusher.
Berenger F, Coti C, Zhang KY. Berenger F, et al. Bioinformatics. 2010 Nov 15;26(22):2918-9. doi: 10.1093/bioinformatics/btq542. Epub 2010 Sep 23. Bioinformatics. 2010. PMID: 20870644
Entropy-accelerated exact clustering of protein decoys.
Berenger F, Zhou Y, Shrestha R, Zhang KY. Berenger F, et al. Bioinformatics. 2011 Apr 1;27(7):939-45. doi: 10.1093/bioinformatics/btr072. Epub 2011 Feb 9. Bioinformatics. 2011. PMID: 21310747
Accelerating ab initio phasing with de novo models.
Shrestha R, Berenger F, Zhang KY. Shrestha R, et al. Acta Crystallogr D Biol Crystallogr. 2011 Sep;67(Pt 9):804-12. doi: 10.1107/S090744491102779X. Epub 2011 Aug 9. Acta Crystallogr D Biol Crystallogr. 2011. PMID: 21904033
Durandal: fast exact clustering of protein decoys.
Berenger F, Shrestha R, Zhou Y, Simoncini D, Zhang KY. Berenger F, et al. J Comput Chem. 2012 Feb 5;33(4):471-4. doi: 10.1002/jcc.21988. Epub 2011 Nov 26. J Comput Chem. 2012. PMID: 22120171
128 results