28 citations · 99 across the 9 of their papers we have counts for
12 papers
A new method for binary classification of proteins with Machine Learning
Damiano Perri, Marco Simonetti, Andrea Lombardi +2
In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomole…
Binary classification of proteins by a Machine Learning approach
Damiano Perri, Marco Simonetti, Andrea Lombardi +2
In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the prote…
Gas Adsorption on Graphtriyne Membrane: Impact of the Induction Interaction Term on the Computational Cost
Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Yusuf Bramastya Apriliyanto +1
Graphynes are a family of porous carbon allotropes that are viewed as ideal 2D nanofilters. In this present work, the authors have modified the Improved Lennard-Jones (ILJ) semi-em…
Quadrilaterals on the square screen of their diagonals: Regge symmetries of quantum-mechanical spin-networks and Grashof classical mechanisms of four-bar linkages
Vincenzo Aquilanti, Ana Carla Peixoto Bitencourt, Concetta Caglioti +4
The four-bar linkage is a basic arrangement of mechanical engineering and represents the simplest movable system formed by a closed sequence of bar-shaped bodies. Although the mech…
Nucleophilic substitution vs elimination reaction of bisulfide ions with substituted methanes: exploration of chiral selectivity by stereodirectional first-principles dynamics and transition state theory
Marcos Vinicius C. S. Rezende, Nayara D. Coutinho, Federico Palazzetti +2
Control of molecular orientation is emerging as crucial for the characterization of the stereodynamics of kinetics processes beyond structural stereochemistry. The special role pla…
Carbon Capture and Separation from CO2/N2/H2O Gaseous Mixtures in Bilayer Graphtriyne: A Molecular Dynamics Study
Noelia Faginas-Lago, Yusuf Bramastya Apriliyanto, Andrea Lombardi
Molecular dynamics simulations have been performed for CO2 capture and separation from CO2/N2/H2O gaseous mixtures in bilayer graphtriyne. The gas uptake capacity, permeability as…