Mirko Paulikat

4PUBLICATIONS
18CO-AUTHORS
Chemical thermodynamics and energeticsComputational chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Cheminformatics and quantitative structure-activity relationships
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Publications (4)

|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

|Dec 21, 2022
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study.

Mirko Paulikat, Juan Aranda, Emiliano Ippoliti

|Dec 05, 2022
Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes.

Mirko Paulikat, Daniele Vitone, Florian K Schackert

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Frequent Collaborators

4 joint publications

Emiliano Ippoliti

4 joint publications

Paolo Carloni

2 joint publications

Giulia Rossetti

2 joint publications

Fabio Arnesano