Molecular Dynamics

Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG.
Empereur-Mot, C., Pedersen, K. B., Capelli, R., Crippa, M., Caruso, C., Perrone, M., Souza, P. C. T., Marrink, S. J. & Pavan, G. M., 6-Jun-2023, (E-pub ahead of print) In: Journal of chemical information and modeling. 12 p., 3c00530.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File
Computational prediction of ω-transaminase selectivity by deep learning analysis of molecular dynamics trajectories
Ramírez-Palacios, C. & Marrink, S. J., 12-Jan-2023, In: QRB Discovery. 4, 11 p., e1.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File

7 Downloads (Pure)
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., 13-Feb-2023, In: Journal of chemical information and modeling. 63, 3, p. 702–710 9.
Research output: Contribution to journal › Article › Academic › peer-review

1 Citation (Scopus)

MARTINI WORKHOP 2021
Alex de Vries (Contributor) & Siewert Marrink (Contributor)
31-Aug-2021 → 3-Sept-2021
Activity: Organising and attending an event › Organising and contributing to an event › Academic
61st International Conference on the BioScience of Lipids (ICBL)
Antoinette Killian (Organiser), Siewert Marrink (Organiser), Ronald Wanders (Organiser), Josef Melcr (Organiser), Joseph Lorent (Organiser) & Bernd Helms (Chair)
12-Oct-2021 → 15-Oct-2021
Activity: Organising and attending an event › Organising and contributing to an event › Academic
"Wat gebeurt er in een biologisch membraan? Computermodellen vertellen het ons."
Alex Vries, de (Speaker)
24-May-2019
Activity: Talk and presentation › Professional or public presentation › Popular

Solution structure of the Escherichia coli apo ferric enterobactin binding protein
Chu, B. C. H. (Contributor), Otten, R. (Contributor), Krewulak, K. D. (Contributor), Mulder, F. A. A. (Contributor) & Vogel, H. J. (Contributor), World Wide Protein Data Bank (WWPDB), 30-Apr-2014
DOI: 10.2210/pdb2M6K/pdb
Dataset
POPC lipid membrane, 303K, Charmm36 force field, simulation files and 200 ns trajectory for Gromacs MD simulation engine v5.1.2
Melcr, J. (Contributor), ZENODO, 13-Sept-2016
DOI: 10.5281/zenodo.153944
Dataset
CCDC 1539905: Experimental Crystal Structure Determination
Lampel, A. (Contributor), McPhee, S. A. (Contributor), Park, H. (Contributor), Scott, G. G. (Contributor), Humagain, S. (Contributor), Hekstra, D. R. (Contributor), Yoo, B. (Contributor), Frederix, P. (Contributor), Li, T. (Contributor), Abzalimov, R. R. (Contributor), Greenbaum, S. G. (Contributor), Tuttle, T. (Contributor), Hu, C. (Contributor), Bettinger, C. J. (Contributor) & Ulijn, R. V. (Contributor), University of Groningen, 23-Mar-2017
DOI: 10.5517/ccdc.csd.cc1npdc3
Dataset

KNAW lid - Elected Membership Royal Netherlands Academy of Arts and Sciences
Marrink, Siewert (Recipient), 25-Apr-2023
Prize: Election to learned society › Academic
ERC Advanced Grant
Marrink, Siewert (Recipient), 26-Apr-2022
Prize: Fellowship awarded competitively › Academic
NWO Rubicon Fellowship
Sami, Selim (Recipient), 14-Apr-2022
Prize: Fellowship awarded competitively › Academic

Network