Daniele Pala

8PUBLICATIONS
18CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsCharacterisation of biological macromoleculesPredictive and prognostic markers
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (8)

|May 19, 2026
Discovery of a Novel Lung-Restricted ALK5 Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis.

|Mar 11, 2026
Accurate Prediction of Core-Hopping Transformations Using Molecular Dynamics-Derived Conformational Ensembles: Application to the Discovery of Novel P2X3 Antagonists.

Daniele Pala, Claudio Fiorelli, Paolo Bruno

|Jan 17, 2025
JAK3 Inhibitors: Covalent and Noncovalent Interactions of a Cyanamide Group Investigated by Multiscale Free-Energy Simulations.

Laura Scalvini, Daniele Pala, Alberto Cuzzolin

|Sep 10, 2020
New classes of potent heparanase inhibitors from ligand-based virtual screening.

Daniele Pala, Laura Scalvini, Gian Marco Elisi

|May 11, 2017
Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-(o-tolyl)quinazolin-4(3H)-one (IC87114) and Its Conformationally Restricted Analogs.

Alessio Lodola, Serena Bertolini, Matteo Biagetti

|Feb 03, 2017
Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8.

Donatella Callegari, Alessio Lodola, Daniele Pala

Pageof 2

Frequent Collaborators

6 joint publications

Silvia Rivara

6 joint publications

Alessio Lodola

5 joint publications

Marco Mor

3 joint publications

Donatella Callegari