Full-atom simulations of DNA end-to-end stacking and β-lactoglobulin fibril formation

The goal of this research project is to carry out full-atom simulations of two specific biological problems, namely short DNA duplexes self-assembly [1] and β-lactoglobulin protein fibrillation [2].

Short DNA duplexes self-assemble into linear weakly bonded chains while the β-lactoglobulin self-assemble into amyloid-like fibrils. In both cases the self-assembly may drive the formation of liquid crystal phases above a critical concentration and in Ref. [1] a theoretical framework has been developed, which is able to properly account for the association process. A detailed full-atomistic study of these two systems would be very valuable to provide an estimate of the input parameters needed by the theory, thus enabling a more stringent comparison of theoretical and experimental results. The candidate should have a strong background in molecular simulations using biomolecular simulation packages (with preference given to the users of GROMACS).

Research Fields

Physics

Selection process

assessment of CV and qualifications by the board of examiners

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Programme Description

Number of awards per year	1
Annual budget	24.073,52
Frequency of calls	no
International mobility required ?	no
Eligible destination country/ies for fellows	Italy
Eligibility of fellows: country/ies of residence	All
Eligibility of fellows: nationality/ies	All
Website of Fellowship Programme	https://server1.phys.uniroma1.it/physmg/ext/bandipub/main.php

Fellowship's Details

Career Stage	Experienced researcher or 4-10 yrs (Post-Doc)
Research Profile	Not defined
Employment contract with full social security	no
Total amount per fellowship per year	20318
Currency	euro
Covers salary	yes
Covers travel and subsistence	no
Covers research costs	no
Maximum duration of fellowship	12