Biblio
Found 299 results
Filters: Author is Caflisch, A. [Clear All Filters]
The Physics-AI Dialogue in Drug Design. RSC Medicinal Chemistry.
.
2025. AI is a viable alternative to high throughput screening: a 318-target study.. Scientific Reports. 14(1):7526.
.
2024. The catalytic mechanism of the RNA methyltransferase METTL3. eLife. 12:RP92537.
.
2024. CHARMM at 45: Enhancements in accessibility, functionality, and speed.. The Journal of Physical Chemistry B. X
.
2024. Enhanced cellular death in liver and breast cancer cells by dual BET/BRPF1 inhibitors. Protein Science. 33(11):e5191.
.
2024. Hierarchical protofilament intertwining rules the formation of mixed-curvature amyloid polymorphs. Advanced Science. 11:e2402740.
.
2024. Off-target inhibition of human dihydroorotate dehydrogenase (hDHODH) highlights challenges in the development of fat mass and obesity-associated protein (FTO) inhibitors. ACS Pharmacology & Translational Science. 7(12):4096-4111.
.
2024. Proteolysis targeting chimera degraders of the METTL3–14 m6A-RNA methyltransferase. Journal of the American Chemical Society Au. 4(2):713-729.
.
2024. On the specificity of the recognition of m6A-RNA by YTH reader domains. The Journal of Biological Chemistry. 300(12):107998.
.
2024. Structure-based design of a potent and selective YTHDC1 ligand. Journal of Medicinal Chemistry. 67(11):9516-9535.
.
2024. Structure-based design of CBP/EP300 degraders: when cooperativity overcomes affinity. Journal of the American Chemical Society Au. 4(9):3466-3474.
.
2024. Decrypting Integrins by mixed-solvent molecular dynamics simulations. Journal of Chemical Information and Modeling. 63:3878–3891.
.
2023. Disrupting dimeric β-amyloid by electric fields. ACS Physical Chemistry Au. 3(5):456–466.
.
2023. Exploring the binding pathway of novel non-peptidomimetic plasmepsin V inhibitors. Journal of Chemical Information and Modeling. 63(21):6890-6899.
.
2023. 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. Identification of BAZ2A bromodomain hit compounds. Acta Crystallographica Section A: Foundations of Crystallography. 78(X):a418-a418.
.
2023. Optimized reaction coordinates for analysis of enhanced sampling. The Journal of Chemical Physics. 159(1):015101-24.
.
2023. Rapid ex vivo reverse genetics identifies the essential determinants of prion protein toxicity. Brain Pathology. 33(2):e13130.
.
2023. Reevaluation of bromodomain ligands targeting BAZ2A. Protein Science. 32(9):e4752.
.
2023. Small-molecule inhibitors of the m7G-RNA writer METTL1. ACS Bio & Med Chem Au. 4(2):100-110.
.
2023. Structure-based design of inhibitors of the m6A‑RNA writer enzyme METTL3. ACS Bio & Med Chem Au. 3(4):359–370.
.
2023. Antibody binding increases the flexibility of the prion protein. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics. 1870(11-12)
.
2022. Antibody binding modulates the dynamics of the membrane-bound prion protein. Biophysical Journal. 121(14):2813-2825.
.
2022. Domino effect in allosteric signaling of peptide binding. Journal of Molecular Biology. 434(17):167661.
.
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.
.
2022.