Simone Raugei

According to our database, Simone Raugei authored at least 5 papers between 2008 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Beyond Protein Language Models: An Agentic LLM Framework for Mechanistic Enzyme Design.

Bruno Jacob, Khushbu Agarwal, Marcel Baer, Peter Rice, Simone Raugei

CoRR, November, 2025

2021

Mechanical coupling in the nitrogenase complex.

Qi Huang, Monika Tokmina-Lukaszewska, Lewis E. Johnson, Hayden Kallas, Bojana Ginovska, John W. Peters, Lance C. Seefeldt, Brian Bothner, Simone Raugei

PLoS Comput. Biol., 2021

2014

Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer.

Jinyu Li, Giulia Rossetti, Jens Dreyer, Simone Raugei, Emiliano Ippoliti, Bernhard Lüscher, Paolo Carloni

PLoS Comput. Biol., 2014

2010

On the Zwitterionic Nature of Gas-Phase Peptides and Protein Ions.

Roberto Marchese, Rita Grandori, Paolo Carloni, Simone Raugei

PLoS Comput. Biol., 2010

2008

On the nature of the reaction intermediate in the HIV-1 protease: a quantum chemical study.

V. Carnevale, Simone Raugei, Simone Piana, Paolo Carloni

Comput. Phys. Commun., 2008