Souza, Paulo C. T.

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

Souza, P. C. T., Alessandri, R., Barnoud, J., Thallmair, S., Faustino, I., Grünewald, F., Patmanidis, I., Abdizadeh, H., Bruininks, B. M. H., Wassenaar, T. A., et al. (2021) · Nature Methods

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1,551

Two decades of Martini: Better beads, broader scope

Marrink, S. J., Monticelli, L., Melo, M. N., Alessandri, R., Tieleman, D. P., & Souza, P. C. T. (2023) · WIREs Computational Molecular Science

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 255

Martinize2 and Vermouth provide a unified framework for molecular topology generation

Kroon, P. C., Grünewald, F., Barnoud, J., van Tilburg, M., Brasnett, C., Souza, P. C., Wassenaar, T. A., & Marrink, S. J. (2025) · eLife

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 124

Martinize2 and Vermouth: Unified Framework for Topology Generation

Kroon, P. C., Grünewald, F., Barnoud, J., van Tilburg, M., Brasnett, C., Souza, P. C. T., Wassenaar, T. A., & Marrink, S.-J. (2022) · arXiv

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 124

Martini 3 Coarse-Grained Force Field for Carbohydrates

Grünewald, F., Punt, M. H., Jefferys, E. E., Vainikka, P. A., König, M., Virtanen, V., Meyer, T. A., Pezeshkian, W., Gormley, A. J., Karonen, M., et al. (2022) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 116

Facilitating CG Simulations with MAD: The MArtini Database Server

Hilpert, C., Beranger, L., Souza, P. C. T., Vainikka, P. A., Nieto, V., Marrink, S. J., Monticelli, L., & Launay, G. (2023) · Journal of Chemical Information and Modeling

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 51