Giulia Rossetti

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2026 J jnl
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.
J. Chem. Inf. Model.
Sachin Shivakumar, Giorgia Frumenzio, Francesco Musiani, Fabio Affinito, Emiliano Ippoliti, Bharath Raghavan, Giulia Rossetti, Davide Mandelli, Paolo Carloni
2025 J jnl
Multiscale Computational Dissection of CCRL2-Mediated Chemerin Presentation.
J. Chem. Inf. Model.
Arianna Migliorini, Samuele Di Cristofano, Klevia Dishnica, Alessandro Marchetto, Rui Pedro Ribeiro, Mattia Laffranchi, Elena Cerioni, Francesco Quilli, Eleonora Bonanni, Alejandro Giorgetti, Giulia Rossetti, Silvano Sozzani, Tiziana Borsello, Domenico Raimondo
2025 J jnl
Structural Systems Biology Toolkit (SSBtoolkit): From Molecular Structure to Subcellular Signaling Pathways.
J. Chem. Inf. Model.
Rui Pedro Ribeiro, Jonas Goßen, Giulia Rossetti, Alejandro Giorgetti
2024 J jnl
Impact of Phosphorylation on the Physiological Form of Human alpha-Synuclein in Aqueous Solution.
J. Chem. Inf. Model.
Emile de Bruyn, Anton Emil Dorn, Giulia Rossetti, Claudio Fernandez, Tiago F. Outeiro, Jörg B. Schulz, Paolo Carloni
2024 J jnl
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J. Chem. Inf. Model.
Simone Albani, Elisa Costanzi, Gia Linh Hoang, Maria Kuzikov, Marcus Frings, Narjes Ansari, Nicola Demitri, Toan T. Nguyen, Valerio Rizzi, Jörg B. Schulz, Carsten Bolm, Andrea Zaliani, Paolo Carloni, Paola Storici, Giulia Rossetti
2023 J jnl
Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes.
J. Chem. Inf. Model.
Mirko Paulikat, Daniele Vitone, Florian Karl Schackert, Nils Schuth, Alessandra Barbanente, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Adam H. Clark, Maarten Nachtegaal, Michael Haumann, Holger Dau, Paolo Carloni, Silvano Geremia, Rita De Zorzi, Liliana Quintanar, Fabio Arnesano
2023 J jnl
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail.
J. Chem. Inf. Model.
Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti, Giulia Rossetti, Fabio Arnesano, Paolo Carloni
2023 J jnl
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET.
J. Chem. Inf. Model.
Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
2017 J jnl
Structural prediction of the interaction of the tumor suppressor p27KIP1 with cyclin A/CDK2 identifies a novel catalytically relevant determinant.
BMC Bioinform.
Jinyu Li, Jörg Vervoorts, Paolo Carloni, Giulia Rossetti, Bernhard Lüscher
2017 J jnl
Unifying view of mechanical and functional hotspots across class A GPCRs.
PLoS Comput. Biol.
Luca Ponzoni, Giulia Rossetti, Luca Maggi, Alejandro Giorgetti, Paolo Carloni, Cristian Micheletti
2014 J jnl
Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer.
PLoS Comput. Biol.
Jinyu Li, Giulia Rossetti, Jens Dreyer, Simone Raugei, Emiliano Ippoliti, Bernhard Lüscher, Paolo Carloni