Paulo C. T. Souza

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

Medium Chain Fatty Acids Are Selective Peroxisome Proliferator Activated Receptor (PPAR) γ Activators and Pan-PPAR Partial Agonists

M.V. Liberato, Alessandro S. Nascimento, Steven D. Ayers et al. · PLoS ONE · 2012 · 404 citations · Full text

Enhancing Molecular n‐Type Doping of Donor–Acceptor Copolymers by Tailoring Side Chains

Jian Liu, Li Qiu, Riccardo Alessandri et al. · Advanced Materials · 2018 · 309 citations · Full text

Two decades of Martini: Better beads, broader scope

‪Siewert J. Marrink, Luca Monticelli, Manuel N. Melo et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 239 citations · Full text

Computational Biophysics, Systems Biology, Molecular Sciences +15

Protein–ligand binding with the coarse-grained Martini model

Paulo C. T. Souza, Sebastian Thallmair, Paolo Conflitti et al. · Nature Communications · 2020 · 235 citations · Full text