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List of works by Donatella Callegari

Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists.

scientific article published on 17 September 2015

Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

scientific article published on 2 February 2017

Exploiting Free-Energy Minima to Design Novel EphA2 Protein-Protein Antagonists: From Simulation to Experiment and Return

scientific article published on 3 May 2016

L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib.

scientific article

Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

scientific article published on 12 January 2017

Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein-Protein Interaction Inhibitors Targeting the EphA2 Receptor.

scientific article published on 22 December 2016

Pharmacological evaluation of new bioavailable small molecules targeting Eph/ephrin interaction.

scientific article published on 9 November 2017

The ellagitannin colonic metabolite urolithin D selectively inhibits EphA2 phosphorylation in prostate cancer cells.

scientific article published on 26 August 2015

Δ(5)-Cholenoyl-amino acids as selective and orally available antagonists of the Eph-ephrin system

scientific article published on 29 August 2015

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