Bharath Raghavan
5PUBLICATIONS
23CO-AUTHORS
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Publications (5)
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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
|Jun 26, 2025
Metal coordination and enzymatic reaction of the glioma-target R132H isocitrate dehydrogenase 1: Insights by molecular simulations.Bharath Raghavan, Marco De Vivo, Paolo Carloni
|Jul 11, 2024
MiMiC: A high-performance framework for multiscale molecular dynamics simulations.Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė
|Jun 15, 2023
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations.Bharath Raghavan, Mirko Paulikat, Katya Ahmad
|Feb 22, 2023
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.Bharath Raghavan, Florian K Schackert, Andrea Levy
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Frequent Collaborators
5 joint publications
Paolo Carloni
4 joint publications
Emiliano Ippoliti
4 joint publications
Davide Mandelli
2 joint publications
Andrea Levy
2 joint publications
Sophia K Johnson
2 joint publications
Jógvan Magnus Haugaard Olsen
2 joint publications
Ursula Rothlisberger
1 joint publications
Florian K Schackert
1 joint publications
Mirko Paulikat
1 joint publications
Lara Callea
