Publications by authors named "Michal Rostkowski"

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Insights into generalization of the rate-limiting steps of the dehalogenation by LinB and DhaA: A computational approach.
Agata Sowińska, Michał Rostkowski, Agnieszka Krzemińska, Tzofia Englman, Faina Gelman

Arch Biochem Biophys· July 2023

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Kinetics of Azanone (HNO) Reactions with Thiols: Effect of pH.
Renata Smulik-Izydorczyk, Karolina Dębowska, Michał Rostkowski, Jan Adamus, Radosław Michalski

Cell Biochem Biophys· December 2021

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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, Luis Vasquez, Martyna Przydacz

J Phys Chem B· December 2021

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Kinetic Study on the Reactivity of Azanone (HNO) toward Cyclic -Nucleophiles.
Angelika Artelska, Monika Rola, Michał Rostkowski, Marlena Pięta, Jakub Pięta

Int J Mol Sci· November 2021

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Oxidation of ethidium-based probes by biological radicals: mechanism, kinetics and implications for the detection of superoxide.
Radosław Michalski, David Thiebaut, Bartosz Michałowski, Mehmet M Ayhan, Micael Hardy, Michał Rostkowski

Sci Rep· October 2020

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Decomposition of Piloty's acid derivatives - Toward the understanding of factors controlling HNO release.
Renata Smulik-Izydorczyk, Michał Rostkowski, Angelika Gerbich, Dominika Jarmoc, Jan Adamus

Arch Biochem Biophys· January 2019

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Can Path Integral Molecular Dynamics Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation.
Luis Vasquez, Michal Rostkowski, Faina Gelman, Agnieszka Dybala-Defratyka

J Phys Chem B· July 2018

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PIN3 duplication may be partially responsible for TP53 haploinsufficiency.
Marta Winiecka-Klimek, Malgorzata Szybka, Piotr Rieske, Sylwester Piaskowski, Michal Bienkowski, Michal Rostkowski

BMC Cancer· September 2014

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WhichCyp: prediction of cytochromes P450 inhibition.
Michal Rostkowski, Ola Spjuth, Patrik Rydberg

Bioinformatics· August 2013

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The contribution of atom accessibility to site of metabolism models for cytochromes P450.
Patrik Rydberg, Michal Rostkowski, David E Gloriam, Lars Olsen

Mol Pharm· April 2013

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Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values.
Chresten R Søndergaard, Mats H M Olsson, Michał Rostkowski, Jan H Jensen

J Chem Theory Comput· July 2011

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PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions.
Mats H M Olsson, Chresten R Søndergaard, Michal Rostkowski, Jan H Jensen

J Chem Theory Comput· February 2011

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Graphical analysis of pH-dependent properties of proteins predicted using PROPKA.
Michał Rostkowski, Mats H M Olsson, Chresten R Søndergaard, Jan H Jensen

BMC Struct Biol· January 2011

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Mechanistic Analysis of the Base-Catalyzed HF Elimination from 4-Fluoro-4-(4'-nitrophenyl)butane-2-one Based on Liquid-Phase Kinetic Isotope Effects Calculated by Dynamics Modeling with Multidimensional Tunneling.
Yongho Kim, Aleksandr V Marenich, Jingjing Zheng, Kyung Hyun Kim, Magdalena Kołodziejska-Huben, Michał Rostkowski

J Chem Theory Comput· January 2009

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Influence of the solvent description on the predicted mechanism of SN2 reactions.
Monika Wujec, Agata Siwek, Joanna Dzierzawska, Michal Rostkowski, Rafal Kaminski

J Phys Chem B· October 2008

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Enzyme mechanisms from molecular modeling and isotope effects.
Agnieszka Dybala-Defratyka, Michal Rostkowski, Piotr Paneth

Arch Biochem Biophys· June 2008

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Analysis of conformer stability for 1,3,8-trihydroxynaphthalene: natural substrate of fungal trihydroxynaphthalene reductase.
Michal Rostkowski, Piotr Paneth

J Phys Chem B· July 2007

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A new interpretation of chlorine leaving group kinetic isotope effects; a theoretical approach.
Agnieszka Dybała-Defratyka, Michał Rostkowski, Olle Matsson, Kenneth C Westaway, Piotr Paneth

J Org Chem· July 2004

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Validation of semiempirical methods for modeling of corrinoid systems.
Renata A Kwiecień, Michał Rostkowski, Agnieszka Dybała-Defratyka, Piotr Paneth

J Inorg Biochem· June 2004

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Calculations of substituent and solvent effects on the kinetic isotope effects of Menshutkin reactions.
Emilia Owczarek, Wojciech Kwiatkowski, Michał Lemieszewski, Adam Mazur, Michał Rostkowski

J Org Chem· October 2003

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