(323b) Data-Driven Design of Functional Amyloid Biomaterials
- Conference: AIChE Annual Meeting
- Year: 2019
- Proceeding: 2019 AIChE Annual Meeting
- Group: Topical Conference: Applications of Data Science to Molecules and Materials
Tuesday, November 12, 2019 - 1:06pm-1:24pm
The talk will focus on the design of functional amyloid biomaterials binding to cesium ions, at which the designed amino acids were introduced to the amyloid designable scaffold to mimic how amino acids bind to cesium ions according to data analysis on experimentally resolved structures binding cesium ions . As part of the protocol the optimum designs were computationally validated using a series of simulations and structural analysis to select the top designed peptides which were experimentally validated . The talk will also present recent applications of the computational protocol in additional studies, emphasizing on how data-driven analysis can lead to the formation of functional amyloid biomaterials.
 Kokotidou, C.; Jonnalagadda, S. V. R.; Orr, A. A.; Seoane-Blanco, M.; Apostolidou, C. P.; van Raaij, M. J.; Kotzabasaki, M.; Chatzoudis, A.; Jakubowski, J. M.; Mossou, E.; Forsyth, V. T.; Mitchell, E. P.; Bowler, M. W.; Llamas-Saiz, A. L.; Tamamis, P.; Mitraki, A., A novel amyloid designable scaffold and potential inhibitor inspired by GAIIG of amyloid beta and the HIV-1 V3 loop. FEBS Letters 2018, 592 (11), 1777-1788.
 Jonnalagadda, S. V. R.; Kokotidou, C.; Orr, A. A.; Fotopoulou, E.; Henderson, K. J.; Choi, C.-H.; Lim, W. T.; Choi, S. J.; Jeong, H.-K.; Mitraki, A.; Tamamis, P., Computational Design of Functional Amyloid Materials with Cesium Binding, Deposition, and Capture Properties. The Journal of Physical Chemistry B 2018, 122 (30), 7555-7568.