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Computational Structural Biology

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(2020)

  1. Dolbois, A., Batiste, L., Wiedmer, L., Dong, J., Brütsch, M., Huang, D., Deerain, N., Spiliotopoulos, D., Cheng-Sánchez, I., Laul, E., Nevado, C., Śledź, P., Caflisch, A.
    Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers
    ACS Med. Chem. Lett. 11 (8) 1573-1580 (2020) DOI | Full Text
  2. Unzue, A., Jessen-Trefzer, C., Spiliotopoulos, D., Gaudio, E., Tarantelli, C., Dong, J., Zhao, H., Pachmayr, J., Zahler, S., Bernasconi, E., Sartori, G., Cascione, L., Bertoni, F., Śledź, P., Caflisch, A., Nevado, C.
    Understanding the mechanism of action of pyrrolo[3,2-b]quinoxaline-derivatives as kinase inhibitors
    RSC Med. Chem. 11 (8) 1573-1580 (2020) DOI | Full Text | Supp Info
  3. Bedi, R.K., Huang, D., Eberle, S.A., Wiedmer, L., Śledź, P., Caflisch, A.
    Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer
    ChemMedChem 15 (9) 744-748 (2020) DOI | Full Text | Supp Info
  4. Bedi, R.K., Huang, D., Wiedmer, L., Li, Y., Dolbois, A., Wojdyla, J.A., Sharpe, M.E., Caflisch, A., Śledź, P.
    Selectively disrupting m6A-dependent protein-RNA interactions with fragments
    ACS Chem. Biol. 15 (3) 618-625 (2020) DOI | Full Text | Supp Info

(2019)

  1. Li, Y., Bedi, R.K., Wiedmer, L., Huang, D., Śledź, P., Caflisch, A.
    Flexible binding of m6A reader protein YTHDC1 to its preferred RNA motif
    J. Chem. Theory Comput. 15 (12) 7004-7014 (2019) DOI | Full Text | Supp Info
  2. Wiedmer, L., Schärer, C., Spiliotopoulos, D., Hürzeler, M., Śledź, P., Caflisch, A.
    Ligand retargeting by binding site analogy
    Eur J Med Chem 175 107-113 (2019) DOI | Full Text | Supp Info
  3. Wiedmer, L., Eberle, S.A., Bedi, R.K., Śledź, P., Caflisch, A.
    A reader-based assay for m6A writers and erasers
    Anal. Chem. 91 (4) 3078-3084 (2019) DOI | Full Text

(2018)

  1. Zhu, J., Dong, J., Batiste, L., Unzue, A., Dolbois, A., Pascanu, V., Śledź, P., Nevado, C., Caflisch, A.
    Binding motifs in the CBP Bromodomain: an analysis of 20 crystal structures of complexes with small molecules
    ACS Med. Chem. Lett. 9 (9) 929-934 (2018) DOI | Full Text | Supp Info
  2. Śledź, P., Caflisch, A.
    Protein structure-based drug design: From docking to molecular dynamics
    Curr. Opin. Struct. Biol. 48 93-102 (2018) DOI | Full Text


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