Publications de Alessandro Samuele Patelli

cgNA plus web : A Visual Interface to the cgNA plus Sequence-dependent Statistical Mechanics Model of Double-stranded Nucleic Acids

John Maddocks, Alessandro Samuele Patelli, Lennart de Bruin, Rahul Sharma

The sequence-dependent statistical mechanics of double-stranded nucleic acid, or dsNA, is believed to be essential in its biological functions. In turn, the equilibrium statistical mechanics behaviour of dsNA depends strongly both on sequence-dependent per ...

Elsevier2023

The role of histone tails in nucleosome stability: An electrostatic perspective

Alessandro Samuele Patelli

We propose a methodology for the study of protein-DNA electrostatic interactions and apply it to clarify the effect of histone tails in nucleosomes. This method can be used to correlate electrostatic interactions to structural and functional features of pr ...

2020

The static and dynamic structural heterogeneities of B-DNA: extending Calladine-Dickerson rules

John Maddocks, Daiva Petkeviciute, Alessandro Samuele Patelli, Marco Pasi

We present a multi-laboratory effort to describe the structural and dynamical properties of duplex B-DNA under physiological conditions. By processing a large amount of atomistic molecular dynamics simulations, we determine the sequence-dependent structura ...

Oxford University Press (OUP)2019

A sequence-dependent coarse-grain model of B-DNA with explicit description of bases and phosphate groups parametrised from large scale Molecular Dynamics simulations

Alessandro Samuele Patelli

We introduce a sequence-dependent coarse-grain model of double-stranded DNA with an explicit description of both the bases and the phosphate groups as interacting rigid-bodies. The model parameters are trained on extensive, state-of-the-art large scale mol ...

EPFL2019

Isogeometric approximation of cardiac electrophysiology models on surfaces: An accuracy study with application to the human left atrium

Alfio Quarteroni, Luca Dede', Alessandro Samuele Patelli, Toni Mikael Lassila, Andrea Bartezzaghi

We consider Isogeometric Analysis in the framework of the Galerkin method for the spatial approximation of cardiac electrophysiology models defined on NURBS surfaces; specifically, we perform a numerical comparison between basis functions of degree p >= 1 ...

Elsevier2017