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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: haupt vj. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243
PLIP: fully automated protein-ligand interaction profiler.
Salentin S, Schreiber S, Haupt VJ, Adasme MF, Schroeder M. Salentin S, et al. Among authors: haupt vj. Nucleic Acids Res. 2015 Jul 1;43(W1):W443-7. doi: 10.1093/nar/gkv315. Epub 2015 Apr 14. Nucleic Acids Res. 2015. PMID: 25873628 Free PMC article.
Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor.
Adasme MF, Parisi D, Van Belle K, Salentin S, Haupt VJ, Jennings GS, Heinrich JC, Herman J, Sprangers B, Louat T, Moreau Y, Schroeder M. Adasme MF, et al. Among authors: haupt vj. PLoS One. 2020 May 27;15(5):e0233089. doi: 10.1371/journal.pone.0233089. eCollection 2020. PLoS One. 2020. PMID: 32459810 Free PMC article.
Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning.
Adasme MF, Bolz SN, Adelmann L, Salentin S, Haupt VJ, Moreno-Rodríguez A, Nogueda-Torres B, Castillo-Campos V, Yepez-Mulia L, De Fuentes-Vicente JA, Rivera G, Schroeder M. Adasme MF, et al. Among authors: haupt vj. Int J Mol Sci. 2020 Nov 20;21(22):8809. doi: 10.3390/ijms21228809. Int J Mol Sci. 2020. PMID: 33233837 Free PMC article.
21 results