Publications by authors named "Samanta Makurat"

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Low-Energy Electron Induced Reactions in Metronidazole at Different Solvation Conditions.
Christine Lochmann, Thomas F M Luxford, Samanta Makurat, Andriy Pysanenko, Jaroslav Kočišek

Pharmaceuticals (Basel)· June 2022

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Guanosine Dianions Hydrated by One to Four Water Molecules.
Samanta Makurat, Qinqin Yuan, Jacek Czub, Lidia Chomicz-Mańka, Wenjin Cao

J Phys Chem Lett· April 2022

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Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations.
Samanta Makurat, Zoe Cournia, Janusz Rak

J Chem Inf Model· January 2022

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Photoelectron Spectroscopy and Theoretical Investigations of Gaseous Doubly Deprotonated 2'-Deoxynucleoside 5'-Monophosphate Dianions.
Qinqin Yuan, Lidia Chomicz-Mańka, Samanta Makurat, Wenjin Cao, Janusz Rak

J Phys Chem Lett· October 2021

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5-(-Trifluoromethylcarboxy)aminouracil as a Potential DNA Radiosensitizer and Its Radiochemical Conversion into -Uracil-5-yloxamic Acid.
Paulina Spisz, Witold Kozak, Lidia Chomicz-Mańka, Samanta Makurat, Karina Falkiewicz

Int J Mol Sci· September 2020

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Uracil-5-yl -Sulfamate: An Illusive Radiosensitizer. Pitfalls in Modeling the Radiosensitizing Derivatives of Nucleobases.
Paulina Spisz, Magdalena Zdrowowicz, Witold Kozak, Lidia Chomicz-Mańka, Karina Falkiewicz, Samanta Makurat

J Phys Chem B· July 2020

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Why Does the Type of Halogen Atom Matter for the Radiosensitizing Properties of 5-Halogen Substituted 4-Thio-2'-Deoxyuridines?
Paulina Spisz, Magdalena Zdrowowicz, Samanta Makurat, Witold Kozak, Konrad Skotnicki

Molecules· August 2019

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5-Iodo-4-thio-2'-Deoxyuridine as a Sensitizer of X-ray Induced Cancer Cell Killing.
Samanta Makurat, Paulina Spisz, Witold Kozak, Janusz Rak, Magdalena Zdrowowicz

Int J Mol Sci· March 2019

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Electron-Induced Dissociation of the Potential Radiosensitizer 5-Selenocyanato-2'-deoxyuridine.
Rebecca Meißner, Samanta Makurat, Witold Kozak, Paulo Limão-Vieira, Janusz Rak

J Phys Chem B· February 2019

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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2'-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity.
Samanta Makurat, Magdalena Zdrowowicz, Lidia Chomicz-Mańka, Witold Kozak, Illia E Serdiuk

RSC Adv· June 2018

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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics.
Paweł Wityk, Miłosz Wieczór, Samanta Makurat, Lidia Chomicz-Mańka, Jacek Czub

J Chem Theory Comput· December 2017

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The Sequence Dependence of Photoinduced Single Strand Break in 5-Bromo-2'-deoxyuridine Labeled DNA Supports That Electron Transfer Is Responsible for the Damage.
Kinga Westphal, Samanta Makurat, Janusz Rak

J Phys Chem B· October 2017

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5-Selenocyanatouracil: A Potential Hypoxic Radiosensitizer. Electron Attachment Induced Formation of Selenium Centered Radical.
Marta Sosnowska, Samanta Makurat, Magdalena Zdrowowicz, Janusz Rak

J Phys Chem B· June 2017

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Electrophilic 5-Substituted Uracils as Potential Radiosensitizers: A Density Functional Theory Study.
Samanta Makurat, Lidia Chomicz-Mańka, Janusz Rak

Chemphyschem· August 2016

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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation.
Janusz Rak, Lidia Chomicz, Justyna Wiczk, Kinga Westphal, Magdalena Zdrowowicz, Samanta Makurat

J Phys Chem B· July 2015

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