Nathalie Reuter

Martini 3: a general purpose force field for coarse-grained molecular dynamics

Paulo C. T. Souza, Riccardo Alessandri, Jonathan Barnoud et al. · Nature Methods · 2021 · 1.4K citations · Full text

Engineering, Physics, Applied Physics +9

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

Nathalie Reuter, Annick Dejaegere, Bernard Maigret et al. · The Journal of Physical Chemistry A · 2000 · 400 citations

The Elusive Oxidant Species of Cytochrome P450 Enzymes:  Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations

Jan Schöneboom, Hai Lin, Nathalie Reuter et al. · Journal of the American Chemical Society · 2002 · 313 citations

Proliferating cell nuclear antigen acts as a cytoplasmic platform controlling human neutrophil survival

Véronique Witko‐Sarsat, Julie Mocek, Dikra Bouayad et al. · The Journal of Experimental Medicine · 2010 · 165 citations · Full text

Measuring and comparing structural fluctuation patterns in large protein datasets

Edvin Fuglebakk, Julián Echave, Nathalie Reuter · Bioinformatics · 2012 · 153 citations · Full text