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Vania Calandrini

Researcher at Forschungszentrum Jülich

Publications -  36
Citations -  533

Vania Calandrini is an academic researcher from Forschungszentrum Jülich. The author has contributed to research in topics: Brownian dynamics & Quasielastic neutron scattering. The author has an hindex of 14, co-authored 36 publications receiving 476 citations. Previous affiliations of Vania Calandrini include University of Parma & Centre national de la recherche scientifique.

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nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions

Vania Calandrini, +5 more
TL;DR: A synoptic view of the range of applications of the latest version of nMoldyn is presented, which includes new modules for a simulation-based interpretation of data from nuclear magnetic resonance spectroscopy, far infraredSpectroscopy and for protein secondary structure analysis.
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Relaxation dynamics of lysozyme in solution under pressure: Combining molecular dynamics simulations and quasielastic neutron scattering

Vania Calandrini, +5 more
- 18 Apr 2008 - 
TL;DR: In this article, the influence of non-denaturing hydrostatic pressure on the relaxation dynamics of lysozyme in solution was investigated. But the results were limited to a time window from about 1 to 100 ps, while its fractal characteristics were preserved.
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Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment

Vania Calandrini, +2 more
- 14 Oct 2010 - 
TL;DR: It is shown that the model describes well the restricted rotational motion of N-H vectors in the amide groups of lysozyme obtained from molecular dynamics simulation and that reliable predictions of experimental relaxation rates can be obtained on that basis.
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Diffusive dynamics of water in tert-butyl alcohol/water mixtures.

Vania Calandrini, +4 more
- 01 Mar 2004 - 
TL;DR: The temperature dependence of the diffusivity parameters in pure water and their concentration dependence in tert-butyl alcohol/water solutions can be rescaled to a common curve attributing to each solution a concentration-dependent "structural temperature" lower than the actual thermodynamic one.
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Conformational transition of DNA bound to Hfq probed by infrared spectroscopy

Frédéric Geinguenaud, +12 more
- 21 Jan 2011 - 
TL;DR: This analysis reveals that Hfq, which preferentially interacts with deoxyadenosine rich sequences, induces partial opening of dA-dT sequences accompanied by sugar repuckering of the dA strand and hence results in a heteronomous A/B duplex.