Publications by authors named "Peter Poliak"

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A Robust and Versatile QM/MM Interface for Molecular Dynamics in GROMOS.
Peter Poliak, Patrick Bleiziffer, Felix Pultar, Sereina Riniker, Chris Oostenbrink

J Comput Chem· February 2025

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Alchemical Free-Energy Calculations at Quantum-Chemical Precision.
Radek Crha, Peter Poliak, Michael Gillhofer, Chris Oostenbrink

J Phys Chem Lett· January 2025

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Understanding the riddle of amine oxidase flavoenzyme reactivity on the stereoisomers of N-methyl-dopa and N-methyl-tyrosine.
Oriol Gracia Carmona, Majd Lahham, Peter Poliak, Dominic Goj, Eva Frießer

J Mol Recognit· March 2024

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BuRNN: Buffer Region Neural Network Approach for Polarizable-Embedding Neural Network/Molecular Mechanics Simulations.
Bettina Lier, Peter Poliak, Philipp Marquetand, Julia Westermayr, Chris Oostenbrink

J Phys Chem Lett· May 2022

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Inhibition of the Peroxygenase Lytic Polysaccharide Monooxygenase by Carboxylic Acids and Amino Acids.
Erik Breslmayr, Peter Poliak, Alen Požgajčić, Roman Schindler, Daniel Kracher

Antioxidants (Basel)· May 2022

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UDP-N-acetyl-α-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase from the snail Biomphalaria glabrata - structural reflections.
Aysegül Turupcu, Peter Poliak, Christian Margreitter, Chris Oostenbrink, Erika Staudacher

Glycoconj J· February 2020

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From phenols to quinones: Thermodynamics of radical scavenging activity of para-substituted phenols.
Martin Michalík, Peter Poliak, Vladimír Lukeš, Erik Klein

Phytochemistry· October 2019

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Thermodynamics of radical scavenging of symmetric carotenoids and their charged species.
Peter Poliak, Peter Škorňa, Erik Klein, Vladimír Lukeš

Food Chem· December 2018

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B3LYP Study of 3-hydroxynaphthalene-2-carboxanilide para-derivatives.
Martin Michalík, Peter Poliak, Vladimír Lukeš

Acta Chim Slov· March 2018

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Polyradical PROXYL/TEMPO-Derived Amides: Synthesis, Physicochemical Studies, DFT Calculations, and Antimicrobial Activity.
Patrik Poprac, Peter Poliak, Miroslav Kavala, Zuzana Barbieriková, Michal Zalibera

Chempluschem· November 2017

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