Agnieszka Dybala-Defratyka

8PUBLICATIONS
10CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsGroundwater quality processes and contaminated land assessmentLibrary studiesTheoretical quantum chemistryContaminant hydrology
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Publications (8)

|Oct 23, 2026
Noncovalent Interaction Origins of Substrate Discrimination in LinB: A Combined QM/MM and SAPT Analysis.

|Dec 15, 2021
Isotope Effects on the Vaporization of Organic Compounds from an Aqueous Solution-Insight from Experiment and Computations.

Michał Rostkowski, Heide K V Schürner, Agata Sowińska

|Nov 04, 2020
Seeking the Source of Catalytic Efficiency of Lindane Dehydrochlorinase, LinA.

Agata Sowińska, Luis Vasquez, Szymon Żaczek

|Jan 07, 2020
Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution.

Suraj Kannath, Paweł Adamczyk, David Ferro-Costas

|Nov 30, 2019
Can Alkaline Hydrolysis of γ-HCH Serve as a Model Reaction to Study Its Aerobic Enzymatic Dehydrochlorination by LinA?

Suraj Kannath, Paweł Adamczyk, Langping Wu

|Aug 24, 2018
Ligand-Driven Conformational Dynamics Influences Selectivity of UbiX.

Szymon Żaczek, Justyna Kowalska, Agnieszka Dybala-Defratyka

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Frequent Collaborators

3 joint publications

Szymon Żaczek

1 joint publications

Faina Gelman

1 joint publications

Justyna Kowalska

1 joint publications

Antonio Fernández-Ramos