‪Siewert J. Marrink - Publications, H-index & Citations

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‪Siewert J. Marrink

cnrs - national institute for biology (insb)

111H-index

737Paper Count

5.5WCitation Count

Published Papers 157

Publication Date

Martini 3 Building Blocks for Lipid Nanoparticle Design

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-12-01

PREAI

Kjolbye, Lisbeth R.; Valerio, Mariana; Paloncyova, Marketa; Borges-Araujo, Luis; Pestana-Nobles, Roberto; Grunewald, Fabian; Bruininks, Bart M. H.; Araya-Osorio, Rocio; Srejber, Martin; Mera-Adasme, Raul; Monticelli, Luca; Marrink, Siewert J.; Otyepka, Michal; Wu, Sangwook; Souza, Paulo C. T.

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Allosteric pathway connects Zn(II) loss from SOD1 to known pathogenic mechanisms

International Journal of Biological Macromolecules

IF8.5

2025-10-16

PREAI

Rocío Araya-Osorio; Moisés Dominguez; Sebastian Thallmair; Siewert J. Marrink; Paulo C.T. Souza; Raúl Mera-Adasme

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Peptide Electrostatic Modulation Directs Human Neural Cell Fate

ADVANCED SCIENCE

IF14.1

2025-09-01

OAAI

Perez-Chirinos, Laura; Barcelo, Xavier; Chiariello, M. Gabriella; Sanz, Irene; Iturrospe, Amaia; Arbe, Arantxa; Ortega, J. Alberto; Marrink, Siewert J.; Cortajarena, Aitziber L.; Alvarez, Zaida; Sasselli, Ivan R.

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All-atom virus simulations to tackle airborne disease

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2025-06-01

OAAI

Dommer, Abigail C.; Wauer, Nicholas A.; Marrink, Siewert J.; Amaro, Rommie E.

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MartiniGlass: a Tool for Enabling Visualization of Coarse-Grained Martini Topologies

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-03-26

OAAI

Brasnett, Christopher; Marrink, Siewert J.

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Nanopore-Functionalized Hybrid Lipid-Block Copolymer Membranes Allow Efficient Single-Molecule Sampling and Stable Sensing of Human Serum

ADVANCED MATERIALS

IF26.8

2025-03-04

OAAI

Vreeker, E; Gruenewald, F; van der Heide, NJ; Bonini, A; Marrink, SJ; Tych, K; Maglia, G

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Hexokinase-I directly binds to a charged membrane-buried glutamate of mitochondrial VDAC1 and VDAC2

COMMUNICATIONS BIOLOGY

IF5.1

2025-02-10

OAAI

Bieker, Sebastian; Timme, Michael; Woge, Nils; Hassan, Dina G.; Brown, Chelsea M.; Marrink, Siewert J.; Melo, Manuel N.; Holthuis, Joost C. M.

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Systematic Approach to Parametrization of Disaccharides for the Martini 3 Coarse-Grained Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-01-17

OAAI

Brandner, Astrid F.; Smith, Iain P. S.; Marrink, Siewert J.; Souza, Paulo C. T.; Khalid, Syma

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Exploring the conformational space of ROS1 kinase domain and the impact of allosteric mutations

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

IF2.4

2025-01-16

OAAI

Farhan Ul Haq; Juliana Fatima Vilachã; Ken Op de Beeck; Guy Van Camp; Siewert-Jan Marrink; Geert Vandeweyer

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Mutagenesis-based optimal design of plant peptide phytosulfokine for enhanced biological activity

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL

IF4.1

2025-01-01

OAAI

Ye, Rui; Xu, Chen; Ding, Zhong-Jie; Zheng, Shao-Jian; Marrink, Siewert-Jan; Zhang, Dong; Zhou, Ruhong

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Validation of a Coarse-Grained Martini 3 Model for Molecular Oxygen

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-12-30

OAAI

Davoudi, Samaneh; Vainikka, Petteri A.; Marrink, Siewert J.; Ghysels, An

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OLIVES: A Go-like Model for Stabilizing Protein Structure via Hydrogen Bonding Native Contacts in the Martini 3 Coarse-Grained Force Field

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-09-05

OAAI

Pedersen, Kasper B.; Borges-Araujo, Luis; Stange, Amanda D.; Souza, Paulo C. T.; Marrink, Siewert J.; Schiott, Birgit

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Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2

NATURE COMMUNICATIONS

IF15.7

2024-08-03

OAAI

Borowska, Anna M.; Chiariello, Maria Gabriella; Garaeva, Alisa A.; Rheinberger, Jan; Marrink, Siewert J.; Paulino, Cristina; Slotboom, Dirk J.

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Modeling membranes in situ

CURRENT OPINION IN STRUCTURAL BIOLOGY

IF7

2024-08-01

OAAI

Brown, Chelsea M.; Marrink, Siewert J.

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Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations

COMMUNICATIONS CHEMISTRY

IF6.2

2024-07-04

OAAI

Brasnett, Christopher; Kiani, Armin; Sami, Selim; Otto, Sijbren; Marrink, Siewert J.

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Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-06-26

OAAI

Pereira, Gilberto P.; Alessandri, Riccardo; Dominguez, Moises; Araya-Osorio, Rocio; Grunewald, Linus; Borges-Araujo, Luis; Wu, Sangwook; Marrink, Siewert J.; Souza, Paulo C. T.; Mera-Adasme, Raul

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Identification of inhibitors targeting the energy-coupling factor (ECF) transporters (vol 6, 1182, 2023)

COMMUNICATIONS BIOLOGY

IF5.1

2024-01-09

OAAI

Diamanti, Eleonora; Souza, Paulo C. T.; Setyawati, Inda; Bousis, Spyridon; Monjas, Leticia; Swier, Lotteke J. Y. M.; Shams, Atanaz; Tsarenko, Aleksei; Stanek, Weronika K.; Jaeger, Manuel; Marrink, Siewert J.; Slotboom, Dirk J.; Hirsch, Anna K. H.

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Nanomechanical footprint of SARS-CoV-2 variants in complex with a potent nanobody by molecular simulations

NANOSCALE

IF5.1

2024-01-01

OAAI

Cofas-Vargas, Luis F.; Olivos-Ramirez, Gustavo E.; Chwastyk, Mateusz; Moreira, Rodrigo A.; Baker, Joseph L.; Marrink, Siewert J.; Poma, Adolfo B.

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Shocker―A Molecular Dynamics Protocol and Tool for Accelerating and Analyzing the Effects of Osmotic Shocks

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-12-18

OAAI

van Tilburg, Marco P. A.; Marrink, Siewert J.; Konig, Melanie; Grunewald, Fabian

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CRAFTing Delivery of Membrane Proteins into Protocells using Nanodiscs

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2023-11-28

OAAI

Stepien, Piotr; Swiatek, Sylwia; Robles, Manuel Yamil Yusef; Markiewicz-Mizera, Joanna; Balakrishnan, Dhanasekaran; Inaba-Inoue, Satomi; De Vries, Alex H.; Beis, Konstantinos; Marrink, Siewert J.; Heddle, Jonathan G.

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Research Directions