Biblio

Found 274 results
2022
Ilie I.M, Bacci M., Vitalis A., Caflisch A..  2022.  Antibody binding modulates the dynamics of the membrane-bound prion protein. Biophysical Journal.
P. Vargas-Rosales A, Caflisch A..  2022.  Domino effect in allosteric signaling of peptide binding. Journal of Molecular Biology. :167661.
Salutari I., Caflisch A..  2022.  Dynamics of the histone acetyltransferase lysine-rich loop in the catalytic core of the CREB-binding protein. Journal of Chemical Information and Modeling. 62(4):1014–1024.
Nass K.J, Ilie I.M, Saller M.J, Driessen A.JM, Caflisch A., Kammerer R.A, Li X..  2022.  The role of the N-terminal amphipathic helix (N-AH) in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations. Biochimica et Biophysica Acta (BBA) - Biomembranes. 1864(3):183825.
García-Viñuales S., Ilie I.M, Santoro A.M, Romanucci V., Zarrelli A., Di Fabio G., Caflisch A., Milardi D..  2022.  Silybins inhibit human IAPP amyloid growth and toxicity through stereospecific interactions. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics. 1870(5):140772.
Li Y., Bedi R.K, Nai F., von Roten V., Dolbois A., Zálešák F., Nachawati R., Huang D., Caflisch A..  2022.  Structure-based design of ligands of the m6A-RNA reader YTHDC1. European Journal of Medicinal Chemistry Reports. 5:100057.
Schilling J., Jost C., Ilie I.M, Schnabl J., Buechi O., Eapen R.S, Truffer R., Caflisch A., Forrer P..  2022.  Thermostable designed ankyrin repeat proteins (DARPins) as building blocks for innovative drugs.. The Journal of Biological Chemistry. 298(1):101403.
2021
Dolbois A., Bedi R.K, Bochenkova E., Müller A., Moroz-Omori E.V, Huang D., Caflisch A..  2021.  1,4,9-Triazaspiro[5.5]undecan-2-one derivatives as potent and selective METTL3 inhibitors. Journal of Medicinal Chemistry. 64(17):12738-12760.
Li Y., Bedi R.K, Wiedmer L., Sun X., Huang D., Caflisch A..  2021.  Atomistic and thermodynamic analysis of N6-methyladenosine (mA) recognition by the reader domain of YTHDC1. Journal of Chemical Theory and Computation. 17(2):1240-1249.
Pohl M.O, Busnadiego I., Marrafino F., Wiedmer L., Hunziker A., Fernbach S., Glas I., Moroz-Omori E.V, Hale B.G, Caflisch A. et al..  2021.  Combined computational and cellular screening identifies synergistic inhibition of SARS-CoV-2 by lenvatinib and remdesivir. Journal of General Virology. 102(7)
Cappelletti V., Hauser T., Piazza I., Pepelnjak M., Malinovska L., Fuhrer T., Li Y., Dörig C., Boersema P, Gillet L. et al..  2021.  Dynamic 3D proteomes reveal protein functional alterations at high resolution in situ. Cell. 184(2):545-559.e22.
Lee J.-H., Wang R., Xiong F., Krakowiak J., Liao Z., Nguyen P.T, Moroz-Omori E.V, Shao J., Zhu X., Bolt M.J et al..  2021.  Enhancer RNA m6A methylation facilitates transcriptional condensate formation and gene activation. Molecular Cell. 81(16):3368-3385.e9.
Mallona I., Ilie I.M, Karemaker I.D, Butz S., Manzo M., Caflisch A., Baubec T..  2021.  Flanking sequence preference modulates de novo DNA methylation in the mouse genome. Nucleic Acids Research. 49(1):145–157.
Dalle Vedove A., Cazzanelli G., Corsi J., Sedykh M., D'Agostino V.G, Caflisch A., Lolli G..  2021.  Identification of a BAZ2A bromodomain hit compound by fragment joining. ACS Bio & Med Chem Au. 1(1):5-10.
Moroz-Omori E.V, Huang D., Bedi R.K, Cheriyamkunnel S.J, Bochenkova E., Dolbois A., Rzeczkowski M.D, Li Y., Wiedmer L., Caflisch A..  2021.  METTL3 inhibitors for epitranscriptomic modulation of cellular processes. ChemMedChem. 16(19):3035-3043.
Milardi D., Gazit E., Radford S.E, Xu Y., Gallardo R.U, Caflisch A., Westermark G.T, Westermark P., La Rosa C., Ramamoorthy A..  2021.  Proteostasis of islet amyloid polypeptide: a molecular perspective of risk factors and protective strategies for type II diabetes. Chemical Reviews. 121(3):1845-1893.
Cocina F., Vitalis A., Caflisch A..  2021.  Unsupervised methods for detection of neural states: case study of hippocampal-amygdala interactions. eNeuro. 8(6)
2020
Marchand J.R., Knehans T., Caflisch A., Vitalis A..  2020.  An ABSINTH-based protocol for predicting binding affinities between proteins and small molecules.. Journal of Chemical Information and Modeling. 60(10):5188-5202.
Goossens K., Wroblowski B., Langini C., Van Vlijmen H., Caflisch A., De Winter H..  2020.  Assessment of the fragment docking program SEED. Journal of Chemical Information and Modeling. 60(10):4881–4893.
Dolbois A., Batiste L., Wiedmer L., Dong J., Brütsch M., Huang D., Deerain N., Spiliotopoulos D., Cheng-Sánchez I., Laul E. et al..  2020.  Hitting a moving target: simulation and crystallography study of ATAD2 bromodomain blockers. ACS Medicinal Chemistry Letters. 11(8):1573-1580.
Caflisch A..  2020.  Kinetic control of amyloidogenesis calls for unconventional drugs to fight Alzheimer's disease. ACS Chemical Neuroscience. 11(2):103-104.
Cocina F., Vitalis A., Caflisch A..  2020.  SAPPHIRE-based clustering. Journal of Chemical Theory and Computation. 16(10):6383–6396.
Bedi R.K, Huang D., Wiedmer L., Li Y., Dolbois A., Wojdyla J.A, Sharpe M.E, Caflisch A., Śledź P..  2020.  Selectively disrupting m6A-dependent protein-RNA interactions with fragments. ACS Chemical Biology. 15(3):618-625.
Bedi R.K, Huang D., Eberle S.A, Wiedmer L., Śledź P., Caflisch A..  2020.  Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer. ChemMedChem. 15(9):744-748.
Li Y., Bedi R.K, Moroz-Omori E.V, Caflisch A..  2020.  Structural and dynamic insights into redundant function of YTHDF proteins. Journal of Chemical Information and Modeling. 60(12):5932-5935.

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