Backmapping triangulated surfaces to coarse-grained membrane models
Pezeshkian, Weria, König, Melanie, Wassenaar, Tsjerk A., Marrink, Siewert J.
Published in Nature communications (08.05.2020)
Published in Nature communications (08.05.2020)
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Journal Article
Protein–ligand binding with the coarse-grained Martini model
Souza, Paulo C. T., Thallmair, Sebastian, Conflitti, Paolo, Ramírez-Palacios, Carlos, Alessandri, Riccardo, Raniolo, Stefano, Limongelli, Vittorio, Marrink, Siewert J.
Published in Nature communications (24.07.2020)
Published in Nature communications (24.07.2020)
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Journal Article
Martini straight: Boosting performance using a shorter cutoff and GPUs
de Jong, Djurre H., Baoukina, Svetlana, Ingólfsson, Helgi I., Marrink, Siewert J.
Published in Computer physics communications (01.02.2016)
Published in Computer physics communications (01.02.2016)
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Journal Article
Martini 3: a general purpose force field for coarse-grained molecular dynamics
Souza, Paulo C. T., Alessandri, Riccardo, Barnoud, Jonathan, Thallmair, Sebastian, Faustino, Ignacio, Grünewald, Fabian, Patmanidis, Ilias, Abdizadeh, Haleh, Bruininks, Bart M. H., Wassenaar, Tsjerk A., Kroon, Peter C., Melcr, Josef, Nieto, Vincent, Corradi, Valentina, Khan, Hanif M., Domański, Jan, Javanainen, Matti, Martinez-Seara, Hector, Reuter, Nathalie, Best, Robert B., Vattulainen, Ilpo, Monticelli, Luca, Periole, Xavier, Tieleman, D. Peter, de Vries, Alex H., Marrink, Siewert J.
Published in Nature methods (01.04.2021)
Published in Nature methods (01.04.2021)
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Journal Article
Polarizable water model for the coarse-grained MARTINI force field
Yesylevskyy, Semen O, Schäfer, Lars V, Sengupta, Durba, Marrink, Siewert J
Published in PLoS computational biology (01.06.2010)
Published in PLoS computational biology (01.06.2010)
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Journal Article
Molecular dynamics simulations in photosynthesis
Liguori, Nicoletta, Croce, Roberta, Marrink, Siewert J., Thallmair, Sebastian
Published in Photosynthesis research (01.05.2020)
Published in Photosynthesis research (01.05.2020)
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Journal Article
Molecular Mechanism of Lipid Nanodisk Formation by Styrene-Maleic Acid Copolymers
Xue, Minmin, Cheng, Lisheng, Faustino, Ignacio, Guo, Wanlin, Marrink, Siewert J.
Published in Biophysical journal (07.08.2018)
Published in Biophysical journal (07.08.2018)
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Journal Article
Computational Lipidomics of the Neuronal Plasma Membrane
Ingólfsson, Helgi I., Carpenter, Timothy S., Bhatia, Harsh, Bremer, Peer-Timo, Marrink, Siewert J., Lightstone, Felice C.
Published in Biophysical journal (21.11.2017)
Published in Biophysical journal (21.11.2017)
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Journal Article
Ceramides bind VDAC2 to trigger mitochondrial apoptosis
Dadsena, Shashank, Bockelmann, Svenja, Mina, John G. M., Hassan, Dina G., Korneev, Sergei, Razzera, Guilherme, Jahn, Helene, Niekamp, Patrick, Müller, Dagmar, Schneider, Markus, Tafesse, Fikadu G., Marrink, Siewert J., Melo, Manuel N., Holthuis, Joost C. M.
Published in Nature communications (23.04.2019)
Published in Nature communications (23.04.2019)
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Journal Article
N-type organic thermoelectrics: demonstration of ZT > 0.3
Liu, Jian, van der Zee, Bas, Alessandri, Riccardo, Sami, Selim, Dong, Jingjin, Nugraha, Mohamad I., Barker, Alex J., Rousseva, Sylvia, Qiu, Li, Qiu, Xinkai, Klasen, Nathalie, Chiechi, Ryan C., Baran, Derya, Caironi, Mario, Anthopoulos, Thomas D., Portale, Giuseppe, Havenith, Remco W. A., Marrink, Siewert J., Hummelen, Jan C., Koster, L. Jan Anton
Published in Nature communications (10.11.2020)
Published in Nature communications (10.11.2020)
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Journal Article
Martini Coarse-Grained Force Field: Extension to RNA
Uusitalo, Jaakko J., Ingólfsson, Helgi I., Marrink, Siewert J., Faustino, Ignacio
Published in Biophysical journal (25.07.2017)
Published in Biophysical journal (25.07.2017)
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Journal Article
Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models
Wassenaar, Tsjerk A, Pluhackova, Kristyna, Böckmann, Rainer A, Marrink, Siewert J, Tieleman, D. Peter
Published in Journal of chemical theory and computation (11.02.2014)
Published in Journal of chemical theory and computation (11.02.2014)
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Journal Article
Efficient Algorithms for Langevin and DPD Dynamics
Goga, N, Rzepiela, A. J, de Vries, A. H, Marrink, S. J, Berendsen, H. J. C
Published in Journal of chemical theory and computation (09.10.2012)
Published in Journal of chemical theory and computation (09.10.2012)
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Journal Article
molecular face of lipid rafts in model membranes
Risselada, H. Jelger, Marrink, Siewert J
Published in Proceedings of the National Academy of Sciences - PNAS (11.11.2008)
Published in Proceedings of the National Academy of Sciences - PNAS (11.11.2008)
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Journal Article
Enhancing Molecular n‐Type Doping of Donor–Acceptor Copolymers by Tailoring Side Chains
Liu, Jian, Qiu, Li, Alessandri, Riccardo, Qiu, Xinkai, Portale, Giuseppe, Dong, JingJin, Talsma, Wytse, Ye, Gang, Sengrian, Aprizal Akbar, Souza, Paulo C. T., Loi, Maria Antonietta, Chiechi, Ryan C., Marrink, Siewert J., Hummelen, Jan C., Koster, L. Jan Anton
Published in Advanced materials (Weinheim) (01.02.2018)
Published in Advanced materials (Weinheim) (01.02.2018)
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Journal Article
Improved Parameters for the Martini Coarse-Grained Protein Force Field
de Jong, Djurre H, Singh, Gurpreet, Bennett, W. F. Drew, Arnarez, Clement, Wassenaar, Tsjerk A, Schäfer, Lars V, Periole, Xavier, Tieleman, D. Peter, Marrink, Siewert J
Published in Journal of chemical theory and computation (08.01.2013)
Published in Journal of chemical theory and computation (08.01.2013)
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Journal Article