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ORCIDGiulio Rastelli
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2020 – today
- 2022
[j10]Davide Bonanni, Luca Pinzi
, Giulio Rastelli:
Development of machine learning classifiers to predict compound activity on prostate cancer cell lines. J. Cheminformatics 14(1): 77 (2022)- 2021
- [j9]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): 18 (2021) - [j8]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): 326-335 (2021) - 2020
- [j7]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): 372-390 (2020)
2010 – 2019
- 2018
- [j6]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): 1094-1103 (2018) - 2015
- [j5]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): 676-686 (2015) - 2013
- [j4]Andrew Anighoro, Giulio Rastelli:
Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure. J. Chem. Inf. Model. 53(4): 739-743 (2013) - 2010
- [j3]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): 183-194 (2010) - [j2]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): 797-810 (2010) - [j1]Miriam Sgobba, Rosetta Forestiero, Gianluca Degliesposti, Giulio Rastelli:
Exploring the Binding Site of C-Terminal Hsp90 Inhibitors. J. Chem. Inf. Model. 50(9): 1522-1528 (2010)
2000 – 2009
- 2006
- [c1]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: 45-59 - [i1]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 abs/cs/0611084 (2006)
Coauthor Index
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