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Publications by Simone Raugei

Critical Computational Analysis Illuminates the Reductive-Elimination Mechanism That Activates Nitrogenase for N2 Reduction

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

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

PLoS Computational Biology

Molecular Neuroscience

Molecular Biology

Computational Theory

English

A Substrate Channel in Nitrogenase Revealed by a Molecular Dynamics Approach

Biophysical Journal

English

A Computational Model for Protein Ionization by Electrospray Based on Gas-Phase Basicity

Journal of the American Society for Mass Spectrometry

Structural Biology

English

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