Biblio
Found 290 results
.
2023.
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. (X)
.
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. 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. Fragment ligands of the m6A-RNA reader YTHDF2. ACS Medicinal Chemistry Letters. 13(9):1500-1509.
.
2022. Identification of a BAZ2A-bromodomain hit compound by fragment growing. ACS Medicinal Chemistry Letters. 13(9):1434-1443.
.
2022. Interactions of curcumin's degradation products with the Aβ dimer: a computational study. The Journal of Physical Chemistry B. 126(39):7627-7637.
.
2022. Molecular dynamics analysis of the structural properties of the transglutaminases of Kutzneria albida and Streptomyces mobaraensis. Computational and Structural Biotechnology Journal. 20:3924-3934.
.
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.
.
2022. Silybins inhibit human IAPP amyloid growth and toxicity through stereospecific interactions. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics. 1870(5):140772.
.
2022. Spiking burstiness and working memory in the human medial temporal lobe. Cerebral Cortex Communications. 3(4):tgac039.
.
2022. Structure-based design of ligands of the m6A-RNA reader YTHDC1. European Journal of Medicinal Chemistry Reports. 5:100057.
.
2022. Thermostable designed ankyrin repeat proteins (DARPins) as building blocks for innovative drugs.. The Journal of Biological Chemistry. 298(1):101403.
.
2022. 1,4,9-Triazaspiro[5.5]undecan-2-one derivatives as potent and selective METTL3 inhibitors. Journal of Medicinal Chemistry. 64(17):12738-12760.
.
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.
.
2021.