1. Schneemilch M., Quirke N. Free energy of adsorption of supported lipid bilayers from molecular dynamics simulation. Chemical Physics Letters. 2016. 664. 199–204.
  2. Rauch N., Rukhlenko O., Kolch W., Kholodenko B. MAPK kinase signalling dynamics regulate cell fate decisions and drug resistance. Current Opinion in Structural Biology. 2016. 41. 151–158.
  3. Agosta L., Brandt e., Lyubartsev A.P. Reactive wetting properties of TiO2 nanoparticles predicted by ab-initio molecular dynamics simulations. Nanoscale. 2016. 8. 13385-13398.
  4. Nguyen LK., Kholodenko B., von Kriegsheim A. Rac1 and RhoA: Networks, loops and bistability. Small GTPases. 2016. 17. 1-6.
  5. Fallahi E., O’Driscoll NA., Matallanas D. The MST/Hippo pathway and cell death: An non-canonical affair. Genes (Basel). 2016. 17. 7(6). pii: E28.
  6. Lopez H., Brandt EG., Mirzoev A., Zhurkin D., Lyubartsev A., Lobaskin V. Multiscale modelling of bionano interface. Adv Exp Med Biol. 2017. 947. 173-206.
  7. Sattler C., Moritz F., Chen S., Steer B., Kutschke D., Irmler M., Beckers J., Eickelberg O., Schmitt-Kopplin P., Adler H., Stoeger T. Nanoparticle exposure of persistently herpesvirus-infected cells reactivates latent virus and restores a signature observed during acute virus infection in vitro and in vivo. Particle and Fibre Toxicology. 2017. 14. 2.
  8. Schmid O, Stoeger T. Surface area is the biologically most effective dose metric for acute nanoparticle toxicity in the lung. Journal of Aerosol Science. 2016. 99. 133–143.
  9. Chen S., Yin R., Mutze K., Yu Y., Takenaka S., Königshoff M., Stoeger T. No involvement of alveolar macrophages in the initiation of carbon nanoparticle induced acute lung inflammation in mice. Part Fibre Toxicol. 2016. 21. 13(1):33.



  1. N Quirke. Free energy of adsorption of supported lipid bilayers from molecular dynamics simulation, International conference on molecular simulation, ICMS-2016, October 2016, Shanghai, China
  2. N Quirke. Some challenges in the simulation of biological membranes, International Molecular Simulation Workshop, April 2016, Xian Jiaotong University, China
  3. N Quirke. Nanoscale phenomena, Invited Lecture, April 2016, Department of Chemistry, Shaanxi Normal University, Xian, China
  4. O Schmid. Evidence from rodent studies on the most relevant dose metric for partico-(nano) toxicological studies, COST Modena (Modelling Nanomaterial Toxicity) Workshop, May 2016, Tallinn, Estonia M Meunier. Molecular Modelling of Polymers and Nanocomposites. International conference on molecular simulation, ICMS-2016, October, 2016, Shanghai, China
  5. U Vogel, NR Jacobsen, KB  Knudsen, SS Poulsen, S Bengtson, AT Saber, H Wallin. Nanomaterial-induced genotoxicity in mice, EEMGS Annual Meeting, August 2016, University of Copenhagen, Denmark
  6. U Vogel SS Poulsen, AT Saber, NR Jacobsen, C Yauk, H Wallin, S Halappanavar. Global gene expression profiling in nanosafety – for hazard identification, grouping and ranking and risk assessment, 8th International Nanotoxicology Congress, NanoTox, June 2016, Boston, USA
  7. H Lopez, S Poggio, D Power, V Lobaskin. Modelling bionan interactions for predictive toxicology, Nanomaterial Safety Assessment Conference, February 2017, Malaga, Spain
  8. H Lopez, S Poggio, D Power, V Lobaskin. Multiscale modelling of nanoparticle protein corona, Lorentz Workhsop “Structured soft interfaces: Caught between multi-scale simulation and application”, January 2017, Lorentz Center, Leiden, The Netherlands
  9. H Lopez, V Lobaskin. Bionano interactions: A key to understanding toxicity of nanomaterials, Public Seminar, May 2016, Chemistry Department, University of Leeds, Leeds, UK
  10. H Lopez, V Lobaskin. Bionano interactions: A key to understanding toxicity of nanomaterials, UCD Conway Festival of Research & Innovation, September 2016, University College Dublin, Dublin, Ireland
  11. V Lobaskin, Proteins at solid interfaces: A coarse-grained simulation, CECAM Workshop “Controlling food protein folding and aggregation: Challenges and perspectives in industry, experiments and simulation”, August 2016, Dublin, Ireland
  12. D Matallana, Characterisation of novel lats1 pro-apoptotic effectors, Scientific meeting “The Hippo pathway in health and disease”, December 2016, Oxford Martin School, Oxford, UK
  13. Arsov, I Urbancic, M Garvas, R Podlipec, B Kokot, T Koklic, J Štrancar, Interaction of materials with model and cell membranes studied by fluorescence microscopy and microspectroscopy, Regional Biophysics Conference, RBC2016, August 2016, Trieste, Italy

Other Dissemination


  1. Project description published in Nanosafety Cluster Compendium (April 2016)
  2. Participation in Nanosafety Cluster Meeting (V. Lobaskin), Stockholm (September 2016)
  3. Project description submitted to NSC Newsletter (Ferbuary 2017)