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DrugCentral 2021 supports drug discovery and repositioning.
Avram S, Bologa CG, Holmes J, Bocci G, Wilson TB, Nguyen DT, Curpan R, Halip L, Bora A, Yang JJ, Knockel J, Sirimulla S, Ursu O, Oprea TI. Avram S, et al. Among authors: sirimulla s. Nucleic Acids Res. 2021 Jan 8;49(D1):D1160-D1169. doi: 10.1093/nar/gkaa997. Nucleic Acids Res. 2021. PMID: 33151287 Free PMC article.
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 NA, Epitropakis NE, Krasoulis AK, Pitsikalis VP, Theodorakis ST, 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, H… See abstract for full author list ➔ Schimunek J, et al. Among authors: sirimulla s. Mol Inform. 2023 Oct 13:e202300262. doi: 10.1002/minf.202300262. Online ahead of print. Mol Inform. 2023. PMID: 37833243
BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling.
Sanchez JE, Kc GB, Franco J, Allen WJ, Garcia JD, Sirimulla S. Sanchez JE, et al. Among authors: sirimulla s. J Chem Inf Model. 2021 Sep 27;61(9):4190-4199. doi: 10.1021/acs.jcim.1c00317. Epub 2021 Aug 16. J Chem Inf Model. 2021. PMID: 34397210 Free PMC article.
20 results