Filippo Marchetti

Machine Learning Prediction of Allosteric Drug Activity from Molecular Dynamics

Filippo Marchetti, Elisabetta Moroni, Alessandro Pandini et al. · The Journal of Physical Chemistry Letters · 2021 · 59 citations · Full text

Molecular Docking, Medicinal Chemistry, Drug Target +15

Genomic epidemiology of SARS-CoV-2 in a UK university identifies dynamics of transmission

Dinesh Aggarwal, Ben Warne, Aminu S. Jahun et al. · Nature Communications · 2022 · 49 citations · Full text

Virus Epidemiology, Genomic Epidemiology, Viral Dynamic +23

The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein

Stefano A. Serapian, Filippo Marchetti, Alice Triveri et al. · The Journal of Physical Chemistry Letters · 2020 · 48 citations · Full text

Biophysical Modeling, Viral Pathogenesis, Glycobiology +16

SARS-CoV-2 Spike Protein Mutations and Escape from Antibodies: A Computational Model of Epitope Loss in Variants of Concern

Alice Triveri, Stefano A. Serapian, Filippo Marchetti et al. · Journal of Chemical Information and Modeling · 2021 · 40 citations · Full text

Computational Model, Immunology, Viral Pathogenesis +17

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary <i>In Silico</i> Approaches Based on Unbiased Molecular Dynamics Simulations

Matteo Castelli, Filippo Marchetti, Sílvia Osuna et al. · Journal of the American Chemical Society · 2023 · 32 citations · Full text