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

Eph Receptors and Ephrins: Therapeutic Opportunities

(2015) Antonio Barquilla et al.   Annual Review of Pharmacology and Toxicology

Investigating Drug–Target Association and Dissociation Mechanisms Using Metadynamics-Based Algorithms

(2014) Andrea Cavalli et al.   ACCOUNTS OF CHEMICAL RESEARCH

UniPR129 is a competitive small molecule Eph-ephrin antagonist blockingin vitroangiogenesis at low micromolar concentrations

(2014) I Hassan-Mohamed et al.   BRITISH JOURNAL OF PHARMACOLOGY

Amino Acid Conjugates of Lithocholic Acid As Antagonists of the EphA2 Receptor

(2013) Matteo Incerti et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis and Structure-Activity Relationships of Amino Acid Conjugates of Cholanic Acid as Antagonists of the EphA2 Receptor

(2013) Simonetta Russo et al.   MOLECULES

Therapeutic targeting of EPH receptors and their ligands

(2013) Andrew W. Boyd et al.   NATURE REVIEWS DRUG DISCOVERY

Structure-Activity Relationships and Mechanism of Action of Eph-ephrin Antagonists: Interaction of Cholanic Acid with the EphA2 Receptor

(2012) Massimiliano Tognolini et al.   ChemMedChem

Use of Metadynamics in the Design of isoDGR-Based αvβ3 Antagonists To Fine-Tune the Conformational Ensemble

(2011) Andrea Spitaleri et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lithocholic Acid Is an Eph-ephrin Ligand Interfering with Eph-kinase Activation

(2011) Carmine Giorgio et al.   PLoS One

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

(2010) V. Limongelli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ligand recognition by A-class Eph receptors: crystal structures of the EphA2 ligand-binding domain and the EphA2/ephrin-A1 complex

(2009) Juha P Himanen et al.   EMBO REPORTS

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS