Katarzyna Zator

6PUBLICATIONS
5CO-AUTHORS
Theory and design of materialsMolecular imaging (incl. electron microscopy and neutron diffraction)Proteins and peptidesTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (6)

|Aug 31, 2026
Scalable Density-Based Local and Global Classifications of Noncovalent Interactions.

|Jan 27, 2026
Noncovalent Interactions in Solvated Proteins and Protein Crystals Studied with the Fragment Molecular Orbital Method.

Dmitri G Fedorov, Katarzyna J Zator, Julia Contreras-García

|Jan 14, 2026
Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points.

Katarzyna J Zator, Maria Chiara Storer, Christopher A Hunter

|Nov 24, 2025
Energy and Real Space Characteristics of Non-Covalent Interactions Across the Periodic Table.

Eline Desmedt, Katarzyna Zator, Tatiana Woller

|May 19, 2025
Prediction of solution phase association constants by mapping contact points in intermolecular complexes.

Katarzyna J Zator, Christopher A Hunter

|Dec 22, 2023
An atomic surface site interaction point description of non-covalent interactions.

Maria Chiara Storer, Katarzyna J Zator, Derek P Reynolds

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Frequent Collaborators

3 joint publications

Christopher A Hunter

2 joint publications

Julia Contreras-García

1 joint publications

Maria Chiara Storer

1 joint publications

Dmitri G Fedorov