Fulvio Perrella

Ab‐initio molecular dynamics and hybrid explicit‐implicit solvation model for aqueous and nonaqueous solvents: <scp>GFP</scp> chromophore in water and methanol solution as case study

Umberto Raucci, Fulvio Perrella, Greta Donati et al. · Journal of Computational Chemistry · 2020 · 39 citations

A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics

Federico Coppola, Fulvio Perrella, Alessio Petrone et al. · Frontiers in Molecular Biosciences · 2020 · 38 citations · Full text

Interference of Polydatin/Resveratrol in the ACE2:Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays

Fulvio Perrella, Federico Coppola, Alessio Petrone et al. · Biomolecules · 2021 · 31 citations · Full text

Spike Recognition, Immunology, Antiviral Drug +16

Electronic and Vibrational Manifold of Tetracyanoethylene–Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics

Federico Coppola, Paola Cimino, Fulvio Perrella et al. · The Journal of Physical Chemistry A · 2022 · 23 citations · Full text

An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning

Fulvio Perrella, Federico Coppola, Nadia Rega et al. · Molecules · 2023 · 20 citations · Full text

Optical Materials, Engineering, Machine Learning +25