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Davide Alemani

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Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of Proteins

Matteo Thomas Degiacomi, Michele Cascella, Matteo Dal Peraro, Enrico Spiga, Davide Alemani

We present a new generation of coarse-grained (CG) potentials that account for a simplified electrostatic description of soluble proteins. The treatment of permanent electrostatic dipoles of the backbone and polar side-chains allows to simulate proteins, p ...

Amer Chemical Soc2013

Combining cellular automata and lattice Boltzmann method to model multiscale avascular tumor growth coupled with nutrient diffusion and immune competition

In the last decades the Lattice Boltzmann method (LB) has been successfully used to simulate a variety of processes. The LB model describes the microscopic processes occurring at the cellular level and the macroscopic processes occurring at the continuum l ...

2012

A nonradial coarse-grained potential for proteins produces naturally stable secondary structure elements

Michele Cascella, Matteo Dal Peraro, Francesca Collu, Davide Alemani

We introduce a nonradial potential term for coarse-grained (CG) molecular simulations of proteins. This term mimics the backbone dipole−dipole interactions and accounts for the needed directionality to form stable folded secondary structure elements. We sh ...

2010