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Cyclic Ion Mobility for Hydrogen/Deuterium Exchange-Mass Spectrometry Applications.
Griffiths D, Anderson M, Richardson K, Inaba-Inoue S, Allen WJ, Collinson I, Beis K, Morris M, Giles K, Politis A. Griffiths D, et al. Among authors: allen wj. Anal Chem. 2024 Apr 16;96(15):5869-5877. doi: 10.1021/acs.analchem.3c05753. Epub 2024 Apr 1. Anal Chem. 2024. PMID: 38561318 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 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: allen wj. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243 Free article.
A molecular evolution algorithm for ligand design in DOCK.
Prentis LE, Singleton CD, Bickel JD, Allen WJ, Rizzo RC. Prentis LE, et al. Among authors: allen wj. J Comput Chem. 2022 Nov 5;43(29):1942-1963. doi: 10.1002/jcc.26993. Epub 2022 Sep 8. J Comput Chem. 2022. PMID: 36073674 Free PMC article.
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: allen wj. 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.
55 results