Alex de Vries

dr.

Other Scientific Education Staff, Faculty of Science and Engineering, Molecular Dynamics
IT, Faculty of Science and Engineering, Molecular Dynamics

https://orcid.org/0000-0002-4055-0950

Phone+31 50 363 4336, +31 50 363 4381
EmailA.H.de.Vries@rug.nl

Nijenborgh7, Gebouw 5171, ruimte 0808
9747 AG Groningen
Netherlands

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74 Article
3 Meeting Abstract
2 Editorial
1 Chapter
More
- 1 Review article
- 1 Thesis fully internal (DIV)

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., Kroon, P. C., Melcr, J., Nieto, V., Corradi, V., Khan, H. M., Domański, J., Javanainen, M., Martinez-Seara, H., Reuter, N., Best, R. B. & 6 others, Vattulainen, I., Monticelli, L., Periole, X., Tieleman, D. P., de Vries, A. H. & Marrink, S. J., Apr-2021, (E-pub ahead of print) In: Nature Methods.
Research output: Contribution to journal › Article › Academic › peer-review
Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field
Khan, H. M., Telles de Souza, P. C., Thallmair, S., Barnoud, J., De Vries, A. H., Marrink, S. J. & Reuter, N., 14-Apr-2020, In: Journal of Chemical Theory and Computation. 16, 4, p. 2550-2560 11 p.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File

2 Citations (Scopus)

38 Downloads (Pure)
Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange
Liu, Y., Pezeshkian, W., Barnoud, J., De Vries, A. H. & Marrink, S. J., 11-Aug-2020, In: Journal of Chemical Theory and Computation. 16, 8, p. 5313-5322 10 p., acs.jctc.0c00429.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File

75 Downloads (Pure)
Dual Resolution Membrane Simulations Using Virtual Sites
Liu, Y., De Vries, A. H., Barnoud, J., Pezeshkian, W., Melcr, J. & Marrink, S. J., 14-May-2020, In: The Journal of Physical Chemistry. B: Materials, Surfaces, Interfaces, & Biophysical. 124, 19, p. 3944-3953 10 p.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File

4 Citations (Scopus)

58 Downloads (Pure)
Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid-liquid extraction
Vazquez-Salazar, L. I., Selle, M., de Vries, A. H., Marrink, S. J. & Souza, P. C. T., 7-Nov-2020, In: Green Chemistry. 22, 21, p. 7376-7386 11 p.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
File

3 Citations (Scopus)

62 Downloads (Pure)

1 Professional or public event

"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 event › Popular

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

Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange

Dual Resolution Membrane Simulations Using Virtual Sites

Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid-liquid extraction

"Wat gebeurt er in een biologisch membraan? Computermodellen vertellen het ons."