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Results for molecular dynamics

Publications & Outputs

  1. How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage: an experimental and computational study

    Van der Paal, J., Hong, S-H., Yusupov, M., Gaur, N., Oh, J-S., Short, R. D., Szili, E. J. & Bogaerts, A., 21/09/2019, In : Physical chemistry chemical physics : PCCP. 21, 35, p. 19327-19341 15 p.

    Research output: Contribution to journalJournal article

  2. Using graph partitioning for scalable distributed quantum molecular dynamics

    Djidjev, H. N., Hahn, G., Mniszewski, S. M., Negre, C. F. A. & Niklasson, A. M. N., 7/09/2019, In : Numerical Algorithms. 12, 9, 19 p., 187.

    Research output: Contribution to journalJournal article

  3. Formation of two-dimensional micelles on graphene: a multi-scale theoretical and experimental study

    Robinson, B. J., Bailey, S. W. D., O'Driscoll, L. J., Visontai, D., Welsh, D. J., Mostert, A. B., Mazzocco, R., Rabot, C., Jarvis, S., Kolosov, O. V., Bryce, M. R. & Lambert, C. J., 10/03/2017, In : ACS Nano.

    Research output: Contribution to journalJournal article

  4. Deuterium MAS NMR studies of dynamics on multiple timescales: histidine and oxalic acid

    Chan-Huot, M., Wimperis, S., Gervais, C., Bodenhausen, G. & Duma, L., 12/01/2015, In : ChemPhysChem. 16, 1, p. 204-215 12 p.

    Research output: Contribution to journalJournal article

  5. Mode of action and design rules for additives that modulate crystal nucleation

    Anwar, J., Boateng, P. K., Tamaki, R. & Odedra, S., 2009, In : Angewandte Chemie International Edition. 48, 9, p. 1596-1600 5 p.

    Research output: Contribution to journalJournal article

  6. Asymmetric crystal growth of alpha-resorcinol from the vapor phase: surface reconstruction and conformational change are the culprits

    Anwar, J., Chatchawalsaisin, J. & Kendrick, J., 2007, In : Angewandte Chemie International Edition. 46, 29, p. 5537-5540 4 p.

    Research output: Contribution to journalJournal article