Publications by authors named "Vania Calandrini"

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Unveiling long-range forces in light-harvesting proteins: Pivotal roles of temperature and light.
Elsa Perez-Martin, Tristan Beranger, Laurent Bonnet, Frederic Teppe, Alvydas Lisauskas, Vania Calandrini

Sci Adv· May 2025

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Quasi-two-dimensional dispersions of Brownian particles with competitive interactions: phase behavior and structural properties.
Zihan Tan, Vania Calandrini, Jan K G Dhont, Gerhard Nägele

Soft Matter· December 2024

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Subdiffusive-Brownian crossover in membrane proteins: a generalized Langevin equation-based approach.
Loris Di Cairano, Benjamin Stamm, Vania Calandrini

Biophys J· November 2021

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Hydrodynamics of immiscible binary fluids with viscosity contrast: a multiparticle collision dynamics approach.
Zihan Tan, Vania Calandrini, Jan K G Dhont, Gerhard Nägele, Roland G Winkler

Soft Matter· September 2021

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Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor-Ligand Complexes.
Thomas Tarenzi, Vania Calandrini, Raffaello Potestio, Paolo Carloni

J Chem Theory Comput· March 2019

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Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme.
Thomas Tarenzi, Vania Calandrini, Raffaello Potestio, Alejandro Giorgetti, Paolo Carloni

J Chem Theory Comput· November 2017

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Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release.
Luca Pesce, Vania Calandrini, Henri-Baptiste Marjault, Colin H Lipper, Gulia Rossetti

J Phys Chem B· November 2017

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Computational metallomics of the anticancer drug cisplatin.
Vania Calandrini, Giulia Rossetti, Fabio Arnesano, Giovanni Natile, Paolo Carloni

J Inorg Biochem· December 2015

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Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins.
Giulia Rossetti, Domenica Dibenedetto, Vania Calandrini, Alejandro Giorgetti, Paolo Carloni

Arch Biochem Biophys· September 2015

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Adaptation of Extremophilic Proteins with Temperature and Pressure: Evidence from Initiation Factor 6.
Paolo A Calligari, Vania Calandrini, Jacques Ollivier, Jean-Baptiste Artero, Michael Härtlein

J Phys Chem B· June 2015

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Structural biology of cisplatin complexes with cellular targets: the adduct with human copper chaperone atox1 in aqueous solution.
Vania Calandrini, Trung Hai Nguyen, Fabio Arnesano, Angela Galliani, Emiliano Ippoliti

Chemistry· September 2014

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Platination of the copper transporter ATP7A involved in anticancer drug resistance.
Vania Calandrini, Fabio Arnesano, Angela Galliani, Trung Hai Nguyen, Emiliano Ippoliti

Dalton Trans· August 2014

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From NMR relaxation to fractional Brownian dynamics in proteins: results from a virtual experiment.
Paolo Calligari, Vania Calandrini, Gerald R Kneller, Daniel Abergel

J Phys Chem B· November 2011

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Conformational transition of DNA bound to Hfq probed by infrared spectroscopy.
Frédéric Geinguenaud, Vania Calandrini, José Teixeira, Claudine Mayer, Jean Liquier

Phys Chem Chem Phys· January 2011

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Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment.
Vania Calandrini, Daniel Abergel, Gerald R Kneller

J Chem Phys· October 2010

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Protein dynamics from a NMR perspective: networks of coupled rotators and fractional Brownian dynamics.
Vania Calandrini, Daniel Abergel, Gerald R Kneller

J Chem Phys· April 2008

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Influence of pressure on the slow and fast fractional relaxation dynamics in lysozyme: a simulation study.
Vania Calandrini, Gerald R Kneller

J Chem Phys· February 2008

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Estimating the influence of finite instrumental resolution on elastic neutron scattering intensities from proteins.
Gerald R Kneller, Vania Calandrini

J Chem Phys· March 2007

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Role of effective atomic masses in memory function-based models for liquids: a simulation study of liquid water.
Vania Calandrini, Godehard Sutmann, Antonio Deriu, Gerald R Kneller

J Chem Phys· December 2006

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Diffusive dynamics of water in tert-butyl alcohol/water mixtures.
Vania Calandrini, Antonio Deriu, Giuseppe Onori, Ruep E Lechner, Jorg Pieper

J Chem Phys· March 2004

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