Academic literature on the topic 'MARTINI ElNeDyn force field'

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Journal articles on the topic "MARTINI ElNeDyn force field"

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López, César A., Zofie Sovova, Floris J. van Eerden, Alex H. de Vries, and Siewert J. Marrink. "Martini Force Field Parameters for Glycolipids." Journal of Chemical Theory and Computation 9, no. 3 (2013): 1694–708. http://dx.doi.org/10.1021/ct3009655.

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Beu, Titus Adrian, Andrada‐Elena Ailenei, and Răzvan‐Ioan Costinaş. "Martini Force Field for Protonated Polyethyleneimine." Journal of Computational Chemistry 41, no. 4 (2019): 349–61. http://dx.doi.org/10.1002/jcc.26110.

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Lopez, Cesar A. "Martini Force Field: Extension To Carbohydrates." Biophysical Journal 96, no. 3 (2009): 405a. http://dx.doi.org/10.1016/j.bpj.2008.12.2062.

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Uusitalo, Jaakko J., Helgi I. Ingólfsson, Siewert J. Marrink, and Ignacio Faustino. "Martini Coarse-Grained Force Field for RNA." Biophysical Journal 114, no. 3 (2018): 437a. http://dx.doi.org/10.1016/j.bpj.2017.11.2416.

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Uusitalo, Jaakko J., Helgi I. Ingólfsson, Parisa Akhshi, D. Peter Tieleman, and Siewert J. Marrink. "Martini Coarse-Grained Force Field: Extension to DNA." Journal of Chemical Theory and Computation 11, no. 8 (2015): 3932–45. http://dx.doi.org/10.1021/acs.jctc.5b00286.

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López, Cesar A., Andrzej J. Rzepiela, Alex H. de Vries, Lubbert Dijkhuizen, Philippe H. Hünenberger, and Siewert J. Marrink. "Martini Coarse-Grained Force Field: Extension to Carbohydrates." Journal of Chemical Theory and Computation 5, no. 12 (2009): 3195–210. http://dx.doi.org/10.1021/ct900313w.

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Mahajan, Subhamoy, and Tian Tang. "Comment on “Martini force field for protonated polyethyleneimine”." Journal of Computational Chemistry 42, no. 4 (2020): 261–63. http://dx.doi.org/10.1002/jcc.26453.

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Uusitalo, Jaakko J., Helgi I. Ingólfsson, Siewert J. Marrink, and Ignacio Faustino. "Martini Coarse-Grained Force Field: Extension to RNA." Biophysical Journal 113, no. 2 (2017): 246–56. http://dx.doi.org/10.1016/j.bpj.2017.05.043.

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Qi, Yifei, Helgi I. Ingólfsson, Xi Cheng, Jumin Lee, Siewert J. Marrink, and Wonpil Im. "CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field." Journal of Chemical Theory and Computation 11, no. 9 (2015): 4486–94. http://dx.doi.org/10.1021/acs.jctc.5b00513.

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Monticelli, Luca, Senthil K. Kandasamy, Xavier Periole, Ronald G. Larson, D. Peter Tieleman, and Siewert-Jan Marrink. "The MARTINI Coarse-Grained Force Field: Extension to Proteins." Journal of Chemical Theory and Computation 4, no. 5 (2008): 819–34. http://dx.doi.org/10.1021/ct700324x.

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Dissertations / Theses on the topic "MARTINI ElNeDyn force field"

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Delort, Bartholomé. "Études par dynamique moléculaire de l’interaction de Récepteurs Couplés aux Protéines-G avec leurs partenaires extra et intra-cellulaires." Thesis, Montpellier, 2018. http://www.theses.fr/2018MONTS113/document.

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Les Récepteurs Couplés aux Protéines-G forment la plus importante famille de protéines membranaires chez l’homme et sont impliqués dans de nombreux processus de signalisation cellulaire. Aussi, ils forment un vivier très important de cibles thérapeutiques, déjà identifiées ou potentielles. L’activation d’un RCPG est amorcée par la liaison d’un ligand dans sa partie extra-cellulaire, modifiant ainsi ses propriétés dynamiques intrinsèques. Ces changements structuraux vont alors se répercuter le long des domaines trans-membranaires et promouvoir la dissociation de la Protéine-G hétéro-trimérique,
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Aghaaminiha, Mohammadreza. "Application of Molecular Simulations and Machine Learning Methods to Study Biological and Metallic Interfaces in Aqueous Environment." Ohio University / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou162818080313617.

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Aghaaminiha, Mohammadreza. "Application of Molecular Simulations and Machine Learning Methods to Study Biological and Metallic Interfaces in Aqueous Environment." Ohio University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou162818080313617.

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Book chapters on the topic "MARTINI ElNeDyn force field"

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Periole, Xavier, and Siewert-Jan Marrink. "The Martini Coarse-Grained Force Field." In Methods in Molecular Biology. Humana Press, 2012. http://dx.doi.org/10.1007/978-1-62703-017-5_20.

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Bruininks, Bart M. H., Paulo C. T. Souza, and Siewert J. Marrink. "A Practical View of the Martini Force Field." In Methods in Molecular Biology. Springer New York, 2019. http://dx.doi.org/10.1007/978-1-4939-9608-7_5.

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Jelger Risselada, H., Marc Fuhrmans, Xavier Periole, and Siewert Marrink. "The MARTINI Force Field." In Coarse-Graining of Condensed Phase and Biomolecular Systems. CRC Press, 2008. http://dx.doi.org/10.1201/9781420059564.ch2.

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Conference papers on the topic "MARTINI ElNeDyn force field"

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Liu, Min, Jinrui Gan, Libo Gao, and Weidong Wang. "Molecular Dynamics Simulation of Self-assembly and Electroporation of Lipid Bilayer Membrane in Martini Force Field." In 2019 IEEE 19th International Conference on Nanotechnology (IEEE-NANO). IEEE, 2019. http://dx.doi.org/10.1109/nano46743.2019.8993896.

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Jewel, Yead, Prashanta Dutta, and Jin Liu. "Coarse-Grained Molecular Dynamics Simulations of Sugar Transport Across Lactose Permease." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-52337.

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Sugar (one of the critical nutrition elements for all life forms) transport across the cell membranes play essential roles in a wide range of living organism. One of the most important active transport (against the sugar concentration) mechanisms is facilitated by the transmembrane transporter proteins, such as the Escherichia coli lactose permease (LacY) proteins. Active transport of sugar molecules with LacY proteins requires a proton gradient and a sequence of complicated protein conformational changes. However, the exact molecular mechanisms and the protein structural information involved
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