Paolo Carloni
Affiliations: | Forschungszentrum Jülich |
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Parents
Sign in to add mentor| Lucia Banci | grad student | 1993 | University of Florence |
| Pier Luigi Orioli | grad student | 1993 | University of Florence |
| Michele Parrinello | grad student | 1993 | IBM Zurich Research Laboratory |
Children
Sign in to add trainee| Matteo Dal Peraro | grad student | 2004 | International School for Advanced Studies |
| Vincenzo Carnevale | grad student | 2003-2007 | SISSA, Trieste |
| Jinyu Li | grad student | 2011-2015 | Forshungszentrum Juelich |
| Massimo Sandal | grad student | 2013-2016 | RWTH Aachen University (Computational Biology Tree) |
| Michal H. Kolář | post-doc | 2014-2015 | Forshungszentrum Juelich |
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Publications
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| Paulikat M, Piccini G, Ippoliti E, et al. (2023) Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail. Journal of Chemical Information and Modeling |
| Rizzi A, Carloni P, Parrinello M. (2023) Free energies at QM accuracy from force fields via multimap targeted estimation. Proceedings of the National Academy of Sciences of the United States of America. 120: e2304308120 |
| Paulikat M, Vitone D, Schackert FK, et al. (2022) Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes. Journal of Chemical Information and Modeling |
| Zhao Q, Capelli R, Carloni P, et al. (2021) Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein-Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors. Journal of Chemical Theory and Computation |
| Rizzi A, Carloni P, Parrinello M. (2021) Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials. The Journal of Physical Chemistry Letters. 9449-9454 |
| Ansari N, Rizzi V, Carloni P, et al. (2021) Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution. Journal of the American Chemical Society |
| Schneider J, Ribeiro R, Alfonso-Prieto M, et al. (2020) Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes. Frontiers in Molecular Biosciences. 7: 576689 |
| Si Chaib Z, Marchetto A, Dishnica K, et al. (2020) Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study. Molecules (Basel, Switzerland). 25 |
| Schneider J, Korshunova K, Si Chaib Z, et al. (2020) Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach. Journal of Chemical Information and Modeling |
| Nechushtai R, Karmi O, Zuo K, et al. (2020) The balancing act of NEET proteins: Iron, ROS, calcium and metabolism. Biochimica Et Biophysica Acta. Molecular Cell Research. 118805 |