Grünewald, Fabian

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

Molecular dynamics simulation of an entire cell

Stevens, J. A., Grünewald, F., van Tilburg, P. A. M., König, M., Gilbert, B. R., Brier, T. A., Thornburg, Z. R., Luthey-Schulten, Z., & Marrink, S. J. (2023) · Frontiers in Chemistry

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 156

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

Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling

Pezeshkian, W., Grünewald, F., Narykov, O., Lu, S., Arkhipova, V., Solodovnikov, A., Wassenaar, T. A., Marrink, S. J., & Korkin, D. (2023) · Structure

Protein Structure and DynamicsSARS-CoV-2 and COVID-19 Research

Cited by 60

Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling

Pezeshkian, W., Grünewald, F., Narykov, O., Lu, S., Arkhipova, V., Solodovnikov, A., Wassenaar, T. A., Marrink, S. J., & Korkin, D. (2021) · Structure

Protein Structure and DynamicsSARS-CoV-2 and COVID-19 Research

Cited by 60

Dynamics of chromosome organization in a minimal bacterial cell

Gilbert, B. R., Thornburg, Z. R., Brier, T. A., Stevens, J. A., Grünewald, F., Stone, J. E., Marrink, S. J., & Luthey-Schulten, Z. (2023) · Frontiers in Cell and Developmental Biology

Genomics and Chromatin DynamicsBacterial Genetics and Biotechnology

Cited by 19