Giulio Rastelli

Publication Activity (10 Years)

Years Active: 2006-2022
Publications (10 Years): 5

Top Topics

Physicochemical Properties

Graphical Interface

Prostate Cancer

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Nucleic Acids Res.

Publications

Davide Bonanni, Luca Pinzi, Giulio Rastelli
Development of machine learning classifiers to predict compound activity on prostate cancer cell lines. J. Cheminformatics 14 (1) (2022)
Luca Pinzi, Annachiara Tinivella, Luca Gagliardelli, Domenico Beneventano, Giulio Rastelli
LigAdvisor: a versatile and user-friendly web-platform for drug design. Nucleic Acids Res. 49 (Webserver-Issue) (2021)
Annachiara Tinivella, Luca Pinzi, Giulio Rastelli
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models. J. Cheminformatics 13 (1) (2021)
Luca Pinzi, Giulio Rastelli
Identification of Target Associations for Polypharmacology from Analysis of Crystallographic Ligands of the Protein Data Bank. J. Chem. Inf. Model. 60 (1) (2020)
Noé Sturm, Annachiara Tinivella, Giulio Rastelli
Exploration and Comparison of the Geometrical and Physicochemical Properties of an αC Allosteric Pocket in the Structural Kinome. J. Chem. Inf. Model. 58 (5) (2018)
Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli
Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome. J. Chem. Inf. Model. 55 (3) (2015)
Andrew Anighoro, Giulio Rastelli
Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure. J. Chem. Inf. Model. 53 (4) (2013)
Alberto Del Rio, Miriam Sgobba, Marco Daniele Parenti, Gianluca Degliesposti, Rosetta Forestiero, Claudia Percivalle, Pier Franco Conte, Mauro Freccero, Giulio Rastelli
A computational workflow for the design of irreversible inhibitors of protein kinases. J. Comput. Aided Mol. Des. 24 (3) (2010)
Miriam Sgobba, Rosetta Forestiero, Gianluca Degliesposti, Giulio Rastelli
Exploring the Binding Site of C-Terminal Hsp90 Inhibitors. J. Chem. Inf. Model. 50 (9) (2010)
Giulio Rastelli, Alberto Del Rio, Gianluca Degliesposti, Miriam Sgobba
Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA. J. Comput. Chem. 31 (4) (2010)
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
Large Scale In Silico Screening on Grid Infrastructures CoRR (2006)
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
Grid-Enabled High Throughput Virtual Screening. GCCB (2006)