Giulio Rastelli

According to our database, Giulio Rastelli authored at least 13 papers between 2006 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Improving Machine Learning Classification Predictions through SHAP and Features Analysis Interpretation.

Leonardo Bernal, Giulio Rastelli, Luca Pinzi

J. Chem. Inf. Model., 2025

2022

Development of machine learning classifiers to predict compound activity on prostate cancer cell lines.

Davide Bonanni, Luca Pinzi, Giulio Rastelli

J. Cheminformatics, 2022

2021

LigAdvisor: a versatile and user-friendly web-platform for drug design.

Luca Pinzi, Annachiara Tinivella, Luca Gagliardelli, Domenico Beneventano, Giulio Rastelli

Nucleic Acids Res., 2021

Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models.

Annachiara Tinivella, Luca Pinzi, Giulio Rastelli

J. Cheminformatics, 2021

2020

Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank.

Luca Pinzi, Giulio Rastelli

J. Chem. Inf. Model., 2020

2018

Exploration and Comparison of the Geometrical and Physicochemical Properties of an αC Allosteric Pocket in the Structural Kinome.

Noé Sturm, Annachiara Tinivella, Giulio Rastelli

J. Chem. Inf. Model., 2018

2015

Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome.

Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli

J. Chem. Inf. Model., 2015

2013

Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure.

Andrew Anighoro, Giulio Rastelli

J. Chem. Inf. Model., 2013

2010

Exploring the Binding Site of C-Terminal Hsp90 Inhibitors.

Miriam Sgobba, Rosetta Forestiero, Gianluca Degliesposti, Giulio Rastelli

J. Chem. Inf. Model., 2010

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.

Giulio Rastelli, Alberto Del Rio, Gianluca Degliesposti, Miriam Sgobba

J. Comput. Chem., 2010

A computational workflow for the design of irreversible inhibitors of protein kinases.

Alberto Del Rio, Miriam Sgobba, Marco Daniele Parenti, Gianluca Degliesposti, Rosetta Forestiero, Claudia Percivalle, Pier Franco Conte, Mauro Freccero, Giulio Rastelli

J. Comput. Aided Mol. Des., 2010

2006

Large Scale In Silico Screening on Grid Infrastructures

Nicolas Jacq, Vincent Breton, Hsin-Yen Chen, Li-Yung Ho, Martin Hofmann, Hurng-Chun Lee, Yannick Legré, Simon C. Lin, Astrid Maaß, Emmanuel Medernach, Ivan Merelli, Luciano Milanesi, Giulio Rastelli, Matthieu Reichstadt, Jean Salzemann, Horst Schwichtenberg, Mahendrakar Sridhar, Vinod Kasam, Ying-Ta Wu, Marc Zimmermann

CoRR, 2006

Grid-Enabled High Throughput Virtual Screening.

Nicolas Jacq, Vincent Breton, Hsin-Yen Chen, Li-Yung Ho, Martin Hofmann, Hurng-Chun Lee, Yannick Legré, Simon C. Lin, Astrid Maaß, Emmanuel Medernach, Ivan Merelli, Luciano Milanesi, Giulio Rastelli, Matthieu Reichstadt, Jean Salzemann, Horst Schwichtenberg, Mahendrakar Sridhar, Vinod Kasam, Ying-Ta Wu, Marc Zimmermann

Proceedings of the Distributed, 2006