Emiliano Ippoliti
17PUBLICATIONS
51CO-AUTHORS
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Publications (17)
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|Feb 20, 2026
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations.Sachin Shivakumar, Giorgia Frumenzio, Francesco Musiani
|Oct 29, 2025
IR Spectroscopy: From Experimental Spectra to High-Resolution Structural Analysis by Integrating Simulations and Machine Learning.Marvin Scherlo, Dominic Phillips, Ricarda Künne
|Jan 08, 2025
Atomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality.P Paiva, E Ippoliti, P Carloni
|Jul 11, 2024
MiMiC: A high-performance framework for multiscale molecular dynamics simulations.Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė
|Nov 10, 2023
Physical Chemistry of Chloroquine Permeation through the Cell Membrane with Atomistic Detail.Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti
|Jun 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.Bharath Raghavan, Mirko Paulikat, Katya Ahmad
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Frequent Collaborators
13 joint publications
Paolo Carloni
6 joint publications
Jógvan Magnus Haugaard Olsen
6 joint publications
Ursula Rothlisberger
4 joint publications
Mirko Paulikat
4 joint publications
Bharath Raghavan
4 joint publications
Simone Meloni
4 joint publications
Davide Mandelli
3 joint publications
Giulia Rossetti
3 joint publications
Viacheslav Bolnykh
2 joint publications
Angelo Spinello
