15 results on '"Callegari, Donatella"'
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2. Balancing reactivity and antitumor activity: heteroarylthioacetamide derivatives as potent and time-dependent inhibitors of EGFR
3. Pharmacological evaluation of new bioavailable small molecules targeting Eph/ephrin interaction
4. Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations
5. Δ5-Cholenoyl-amino acids as selective and orally available antagonists of the Eph–ephrin system
6. The ellagitannin colonic metabolite urolithin D selectively inhibits EphA2 phosphorylation in prostate cancer cells
7. Molecular modelling studies on PEA hydrolysis by the enzyme N-acylethanolamine acid amidase
8. N-Acylethanolamine Acid Amidase (NAAA): Mechanism of Palmitoylethanolamide Hydrolysis Revealed by Mechanistic Simulations
9. Applicazione di metodi di enhanced sampling alla progettazione di farmaci
10. Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8
11. Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8
12. Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein–Protein Interaction Inhibitors Targeting the EphA2 Receptor
13. Exploiting Free-Energy Minima to Design Novel EphA2 Protein-Protein Antagonists: From Simulation to Experiment and Return
14. Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists
15. Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations.
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