Paolo Carloni

Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations

Rodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary et al. · Journal of the American Chemical Society · 2017 · 224 citations · Full text

α-Synuclein phosphorylation at serine 129 occurs after initial protein deposition and inhibits seeded fibril formation and toxicity

Simona S. Ghanem, Nour K. Majbour, Nishant N. Vaikath et al. · Proceedings of the National Academy of Sciences · 2022 · 188 citations · Full text

Serine 129, Molecular Biology, Synaptic Signaling +20

Accurate and efficient description of protein vibrational dynamics: Comparing molecular dynamics and Gaussian models

Cristian Micheletti, Paolo Carloni, Amos Maritan · Proteins Structure Function and Bioinformatics · 2004 · 184 citations

Coarse-Grained Model of Proteins Incorporating Atomistic Detail of the Active Site

Marilisa Neri, Claudio Anselmi, Michele Cascella et al. · Physical Review Letters · 2005 · 174 citations · Full text

Protein Assembly, Biomolecular Structure Prediction, Molecular Biology +17

Electronic Structure of Wet DNA

Francesco Luigi Gervasio, Paolo Carloni, Michele Parrinello · Physical Review Letters · 2002 · 166 citations