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Fabian Grünewald
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Year
Martini 3: a general purpose force field for coarse-grained molecular dynamics
PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ...
Nature methods 18 (4), 382-388, 2021
6422021
Transferable MARTINI model of poly (ethylene oxide)
F Grunewald, G Rossi, AH De Vries, SJ Marrink, L Monticelli
The journal of physical chemistry B 122 (29), 7436-7449, 2018
1132018
The martini model in materials science
R Alessandri, F Grünewald, SJ Marrink
Advanced Materials 33 (24), 2008635, 2021
702021
Titratable Martini model for constant pH simulations
F Grünewald, PCT Souza, H Abdizadeh, J Barnoud, AH de Vries, ...
The Journal of chemical physics 153 (2), 2020
642020
Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials
F Grünewald, R Alessandri, PC Kroon, L Monticelli, PCT Souza, ...
Nature communications 13 (1), 68, 2022
572022
Molecular dynamics simulation of an entire cell
JA Stevens, F Grünewald, PAM van Tilburg, M König, BR Gilbert, TA Brier, ...
Frontiers in Chemistry 11, 1106495, 2023
442023
Molecular architecture and dynamics of SARS-CoV-2 envelope by integrative modeling
W Pezeshkian, F Grünewald, O Narykov, S Lu, V Arkhipova, ...
Structure 31 (4), 492-503. e7, 2023
332023
Martinize2 and vermouth: unified framework for topology generation. Elife 12
PC Kroon, F Grunewald, J Barnoud, M Tilburg, PCT Souza, ...
RP90627, 2023
31*2023
Martini 3 coarse-grained force field for carbohydrates
F Grünewald, MH Punt, EE Jefferys, PA Vainikka, M König, V Virtanen, ...
Journal of Chemical Theory and Computation 18 (12), 7555-7569, 2022
302022
Protocol for simulations of PEGylated proteins with martini 3
F Grünewald, PC Kroon, PCT Souza, SJ Marrink
Structural Genomics: General Applications, 315-335, 2021
132021
pH-Dependent Conformational Switch Impacts Stability of the PsbS Dimer
MG Chiariello, F Grünewald, R Zarmiento-Garcia, SJ Marrink
The Journal of Physical Chemistry Letters 14 (4), 905-911, 2023
62023
Strategies for enhancing the dielectric constant of organic materials
S Sami, R Alessandri, JB W. Wijaya, F Grünewald, AH De Vries, ...
The Journal of Physical Chemistry C 126 (45), 19462-19469, 2022
62022
A Guide to Titratable Martini Simulations
S Sami, F Grünewald, PCT Souza, SJ Marrink
A Practical Guide to Recent Advances in Multiscale Modeling and Simulation …, 2023
32023
Shocker─ A Molecular Dynamics Protocol and Tool for Accelerating and Analyzing the Effects of Osmotic Shocks
MPA van Tilburg, SJ Marrink, M König, F Grünewald
Journal of Chemical Theory and Computation 20 (1), 212-223, 2023
12023
The onset of whole-cell modeling using the martini force field
JA Stevens, F Grunewald, M van Tilburg, ZR Thornburg, BR Gilbert, ...
Biophysical journal 122 (3), 421a, 2023
12023
The martini 3 ecosystem for coarse-grained simulations
F Grunewald, PCT Souza, SJ Marrink
Biophysical Journal 122 (3), 419a-420a, 2023
12023
Curvature-induced lipid sorting beyond the critical packing parameter
M Konig, R de Vries, F Grunewald, SJ Marrink, W Pezeshkian
bioRxiv, 2023.12. 15.571845, 2023
12023
Dynamics of chromosome organization in a minimal bacterial cell
BR Gilbert, ZR Thornburg, TA Brier, JA Stevens, F Grünewald, JE Stone, ...
Frontiers in Cell and Developmental Biology 11, 2023
12023
Dynamics of chromosome organization in a minimal bacterial cell
BR Gilbert, ZR Thornburg, TA Brier, JA Stevens, F Grunewald, JE Stone, ...
Biophysical Journal 123 (3), 327a, 2024
2024
GōMartini 3: From large conformational changes in proteins to environmental bias corrections
PCT Souza, LP Borges Araujo, C Brasnett, RA Moreira, F Grunewald, ...
bioRxiv, 2024.04. 15.589479, 2024
2024
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