Biblio
Found 304 results
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2020. Kinetic control of amyloidogenesis calls for unconventional drugs to fight Alzheimer's disease. ACS Chemical Neuroscience. 11(2):103-104.
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2020. SAPPHIRE-based clustering. Journal of Chemical Theory and Computation. 16(10):6383–6396.
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2020. Selectively disrupting m6A-dependent protein-RNA interactions with fragments. ACS Chemical Biology. 15(3):618-625.
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2020. Small-molecule inhibitors of METTL3, the major human epitranscriptomic writer. ChemMedChem. 15(9):744-748.
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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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2020. Synthesis, radiolabelling and initial biological characterisation of F-labelled xanthine derivatives for PET imaging of Eph receptors. Organic & Biomolecular Chemistry. 18(16):3104-3116.
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2020. Understanding the mechanism of action of pyrrolo[3,2-b]quinoxaline-derivatives as kinase inhibitors. RSC Medicinal Chemistry. 11(8):1573-1580.
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2019. The 3A6-TCR/superagonist/HLA-DR2a complex shows similar interface and reduced flexibility compared to the complex with self-peptide. Proteins: Structure, Function, and Bioinformatics. 88(1):31-46.
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2019. Disulfide bridge formation influences ligand recognition by the ATAD2 bromodomain. Proteins: Structure, Function, and Bioinformatics. 87(2):157-167.
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2019. Flexible binding of m6A reader protein YTHDC1 to its preferred RNA motif. Journal of Chemical Theory and Computation. 15(12):7004-7014.
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2019. Ligand retargeting by binding site analogy. European Journal of Medicinal Chemistry. 175:107-113.
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2019. A reader-based assay for m6A writers and erasers. Analytical Chemistry. 91(4):3078-3084.
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2019. On the removal of initial state bias from simulation data. Journal of Chemical Physics. 150(10):104105.
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2019. Simulation studies of amyloidogenic polypeptides and their aggregates. Chemical Reviews. 119(12):6956-6993.
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2019. Unsupervised identification of states from voltage recordings of neural networks. Journal of Neuroscience Methods. 318:104-117.
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2018. 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.
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2018. Chemical space expansion of bromodomain ligands guided by in silico virtual couplings (AutoCouple). ACS Central Science. 4:180-188.
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2018. Disorder at the tips of a disease-relevant Aβ42 amyloid fibril: A molecular dynamics study. The Journal of Physical Chemistry B. 122(49):11072–11082.
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2018. Editorial overview: Folding and binding: In silico, in vitro and in cellula.. Current Opinion in Structural Biology. 48(48):iv-vii.
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2018. In silico fragment-based drug design with SEED. European Journal of Medicinal Chemistry. 156:907-917.
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2018. In silico identification of JMJD3 demethylase inhibitors. Journal of Chemical Information and Modeling. 58(10):2151–2163.
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2018. Iriomoteolides: novel chemical tools to study actin dynamics. Chemical Science. 9(15):3793-3802.
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2018. Precise estimation of transfer free energies for ionic species between similar media.. Physical Chemistry Chemical Physics. 20(42):27003-27010.
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2018. Protein structure-based drug design: From docking to molecular dynamics. Current Opinion in Structural Biology. 48:93-102.
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2018. Serotonin uptake is required for Rac1 activation in Kras-induced acinar-to-ductal metaplasia in the pancreas. Journal of Pathology. 246(3):352-365.