Submission #314

Submission information
Submitted by Anonyme (not verified)
Wed, 06/13/2018 - 23:12
Computational developments for integrative structural biology
PhD Thesis
The overall research topic of the current project is to extend the state-of-the-art computational methods for small-angle (both SAXS and SANS) scattering experiments and to provide algorithmic foundation to the upcoming single-molecule experimental techniques. In particular, the practical aim of the project is the development of software tools with intuitive user-interaction feedback.

Mathematically, the project will rely on the very efficient representation of the scattering profiles based on polynomial expansions of the scattering amplitudes using spherical harmonics. Structural optimization will be performed using the fast Fourier transform–accelerated techniques and the polynomial translation theorems and large collective structural motions using Normal Mode Analysis.

Three main axes of the proposed project are : (i) Molecular flexibility and the ways of modelling it; (ii) Algorithmic developments for new experimental setups, particularly combining SAXS and SANS data, and 2D scattering; (iii) Practical software development with intuitive user interfaces.
1768-2100 gross
Sat, 06/30/2018