Giulio Rastelli

13 papers Journal 12Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Improving Machine Learning Classification Predictions through SHAP and Features Analysis Interpretation.
J. Chem. Inf. Model.
Leonardo Bernal, Giulio Rastelli, Luca Pinzi
2022 J jnl
Development of machine learning classifiers to predict compound activity on prostate cancer cell lines.
J. Cheminformatics
Davide Bonanni, Luca Pinzi, Giulio Rastelli
2021 J jnl
LigAdvisor: a versatile and user-friendly web-platform for drug design.
Nucleic Acids Res.
Luca Pinzi, Annachiara Tinivella, Luca Gagliardelli, Domenico Beneventano, Giulio Rastelli
2021 J jnl
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models.
J. Cheminformatics
Annachiara Tinivella, Luca Pinzi, Giulio Rastelli
2020 J jnl
Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank.
J. Chem. Inf. Model.
Luca Pinzi, Giulio Rastelli
2018 J jnl
Exploration and Comparison of the Geometrical and Physicochemical Properties of an αC Allosteric Pocket in the Structural Kinome.
J. Chem. Inf. Model.
Noé Sturm, Annachiara Tinivella, Giulio Rastelli
2015 J jnl
Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome.
J. Chem. Inf. Model.
Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli
2013 J jnl
Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure.
J. Chem. Inf. Model.
Andrew Anighoro, Giulio Rastelli
2010 J jnl
A computational workflow for the design of irreversible inhibitors of protein kinases.
J. Comput. Aided Mol. Des.
Alberto Del Rio, Miriam Sgobba, Marco Daniele Parenti, Gianluca Degliesposti, Rosetta Forestiero, Claudia Percivalle, Pier Franco Conte, Mauro Freccero, Giulio Rastelli
2010 J jnl
Exploring the Binding Site of C-Terminal Hsp90 Inhibitors.
J. Chem. Inf. Model.
Miriam Sgobba, Rosetta Forestiero, Gianluca Degliesposti, Giulio Rastelli
2010 J jnl
Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.
J. Comput. Chem.
Giulio Rastelli, Alberto Del Rio, Gianluca Degliesposti, Miriam Sgobba
2006 — conf
Grid-Enabled High Throughput Virtual Screening.
GCCB
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
2006 J jnl
Large Scale In Silico Screening on Grid Infrastructures
CoRR
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