Biblio
Found 57 results
Filters: Author is Caflisch, A. and Keyword is Humans [Clear All Filters]
Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay. International Journal of Biological Macromolecules. 226:780-792.
.
2023. Interactions of curcumin's degradation products with the Aβ dimer: a computational study. The Journal of Physical Chemistry B. 126(39):7627-7637.
.
2022. Combined computational and cellular screening identifies synergistic inhibition of SARS-CoV-2 by lenvatinib and remdesivir. Journal of General Virology. 102(7)
.
2021. Enhancer RNA m6A methylation facilitates transcriptional condensate formation and gene activation. Molecular Cell. 81(16):3368-3385.e9.
.
2021. The ATAD2 bromodomain binds different acetylation marks on the histone H4 in similar fuzzy complexes. The Journal of Biological Chemistry. 292(40):16734-16745.
.
2017. Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry. 139:564-572.
.
2017. Correction to "Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations". Biochemistry. 55(39):5647.
.
2016. Derivatives of 3-amino-2-methylpyridine as BAZ2B bromodomain ligands: In silico discovery and in crystallo validation. Journal of Medicinal Chemistry. 59(21):9919-9927.
.
2016. Fragment-based in silico screening of bromodomain ligands. Drug Discovery Today. Technologies. 19:81-90.
.
2016. The "gatekeeper" residue influences the mode of binding of acetyl indoles to bromodomains. Journal of Medicinal Chemistry. 59(7):3087-3097.
.
2016. A small-molecule inhibitor of Lin28. ACS Chemical Biology. 11(10):2773-2781.
.
2016. Specific inhibition of β-secretase processing of the Alzheimer disease amyloid precursor protein. Cell Reports. 14(9):2127-2141.
.
2016. Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. European Journal of Medicinal Chemistry. 112:347-366.
.
2016. Twenty crystal structures of bromodomain and PHD finger containing protein 1 (BRPF1)/ligand complexes reveal conserved binding motifs and rare interactions. Journal of Medicinal Chemistry. 59(11):5555-5561.
.
2016. Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations. Biochemistry. 54(3):711-721.
.
2015. The roles of the conserved tyrosine in the β2-α2 loop of the prion protein. Prion. 9(6):412-419.
.
2015. Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorganic & Medicinal Chemistry Letters. 24(11):2493-2496.
.
2014. Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk. Bioorganic & Medicinal Chemistry Letters. 24(6):1523-1527.
.
2014. Equilibrium sampling approach to the interpretation of electron density maps. Structure. 22(1):156-167.
.
2014. Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: Structure-based design, synthesis, and in vivo validation. Journal of Medicinal Chemistry. 57(15):6834-6844.
.
2014. Specificity and mechanism-of-action of the JAK2 tyrosine kinase inhibitors ruxolitinib and SAR302503 (TG101348). Leukemia. 28(2):404-407.
.
2014. Structured water molecules in the binding site of bromodomains can be displaced by cosolvent. ChemMedChem. 9(3):573-579.
.
2014. Kinetic response of a photoperturbed allosteric protein. Proceedings of the National Academy of Sciences of the United States of America. 110(29):11725-11730.
.
2013. Macrodomain-containing proteins are new mono-ADP-ribosylhydrolases. Nature Structural & Molecular Biology. 20(4):502-507.
.
2013. Methylations of tryptophan-modified naphthoquinone affect its inhibitory potential toward Aβ aggregation. The Journal of Physical Chemistry B. 117(6):1780-1789.
.
2013.