Hydrophobins are small (amphiphilic) proteins specific to filamentous fungi (~100 amino acids residues). They are among the most surface active molecules, being responsible for the formation of hydrophobic surfaces found in spores and fruiting bodies , for example. Hydrophobins are further highly intriguing as form foaming agents, a property which has been recognized by the beer industry. Their ability to self-assemble on the surfaces further offers new ideas for many applications in the field of nanostructured surface materials. In the present work , we employ extensive molecular dynamics simulations to examine structural aspects of the HFBII hydrophobin, whose crystal structure has been determined very recently . We investigate how the structure of HFBII depends on the conditions used, including both hydrophilic and hydrophobic environments as well as cases where the hydrophobin has placed itself to a water-oil interface. Further, we study the self-assembly process that is expected to be rather different from previous suggestions due to the disulfide bridge network found in Ref. . Implications of our findings are discussed.  H. A. B. Wösten and M. L. de Vocht, Biochim. Biophys. Acta 1469 (2000) 79.  M. Patra, N. Munck, A. Paananen, K. Tappura, M. Karttunen, and I. Vattulainen (to be submitted).  J. Hakanpää, A. Paananen, S. Askolin, T. Nakari-Setälä, T. Parkkinen, M. Penttilä, M. B. Linder, and J. Rouvinen, J. Biol. Chem. 279 (2004) 534.
|Title of host publication||Proceedings of the XXXVIII Annual Conference of The Finnish Physical Society. Oulu, Finland, 18 - 20 March 2004. University of Oulu. Report Series in Physical Sciences : 25|
|Publisher||University of Oulu|
|Number of pages||1|
|Publication status||Published - 2004|
|Series||Report Series in Physical Sciences|
Patra, M., Munck, N., Paananen, A., Tappura, K., Karttunen, M., & Vattulainen, I. (2004). A computational perspective of hydrophobins through molecular dynamics simulations. In Proceedings of the XXXVIII Annual Conference of The Finnish Physical Society. Oulu, Finland, 18 - 20 March 2004. University of Oulu. Report Series in Physical Sciences : 25 (pp. 269). University of Oulu. Report Series in Physical Sciences, No. 25 http://urn.fi/urn:isbn:9514272870