Lukasz Szatkowski

M.Sc.: Lodz University of Technology Lodz, Poland, 2007 (Computational Chemistry and Molecular Modeling Master’s Thesis: “Modeling properties of Pt (II), Pd (II), and Cu (II) complex compounds”)

Ph.D.: Lodz University of Technology Lodz, Poland, 2012 (Physical and Computational Chemistry Ph.D. Thesis: “Mechanisms of enzymatic dehalogenation of chlorophenols derivatives”)

Graduate Certificate in Data Science: University of Missouri Columbia, MO, 2024 (BioHealth Analytics GPA: 4.00: • Introduction to Data Science and Analytics - 4.00 • Genomics Analytics - 4.00 • Advanced Methods in Health Data Science - 4.00 • Data Analytics from Applied Machine Learning - 4.00)

09-2009 -09-2009 Visiting Research Affiliate, North Carolina State University, Raleigh, NC

01-2013 -08-2015 Postdoctoral Fellow, Supervisor: Micheal B. Hall • DFT studied properties and reactivity of transition metals complex compounds. • Conducted Quantum Chemistry calculations, predicted kinetic isotope effects, and analyzed complex data focusing on properties and reactivity of transition metals complex compounds. , Texas A&M University, College Station, TX

09-2015 -12-2017 Postdoctoral Fellow, Supervisor: Steven D. Schwartz • Conducted molecular dynamics studies of the full atomistic model of the cardiac thin filament. • Developed protocols for computational drug screening and evaluation, and confirmed model accuracy through experimental results. • Performed complex analysis of MD simulation data for systems with over 5 million atoms. • Parameterized all-atom CHARMM General Force Field (CGenFF) for new molecules. , University of Arizona, Tucson, AZ

01-2018 -08-2018 Postdoctoral Fellow, Supervisor: Ruxandra I. Dima, University of Cincinnati, Cincinnati, OH

08-2018 -08-2020 Visiting Assistant Professor, Supervisor: Ruxandra I. Dima • Explored mechanical stability of microtubules using coarse-grained and full atomistic molecular dynamics. • Discovered complex aspects of the mechanical stability of microtubules under high crowding conditions. • Parameterized coarse-grained force fields, performed advanced data analysis of MD simulations, and designed complex analysis scripts., University of Cincinnati, Cincinnati, OH

08-2020 -08-2022 Assistant Professor of Chemistry, • Developed computational model for investigating polyethylene glycol interactions with proteins and the dynamics of proteins. • Conducted computational docking, molecular dynamics simulations, and large data analysis using Python., University of South Carolina Sumter, Sumter, SC

08-2022 -08-2024 Assistant Teaching Professor, • Redesigned Physical Chemistry Laboratory integrating Data Analysis, Data Visualization in Python, and Computational Chemistry., University of Missouri St Louis, St. Louis, MO

08-2024 - Assistant Professor of Chemistry - Educator, University of Cincinnati, Cincinnati, OH

03-2022 -06-2022 Consultant – Computational Chemistry, • Conducted computational studies in covalent drug discovery. • Conducted advanced data analysis and visualization of the correlation of the experimental and theoretical data to enhance drug discovery prediction., Terremoto Biosciences, Inc.,

Investigators:Szatkowski L. 05-2021 -12-2021 University of South Carolina Influence of polyethylene glycol (PEG) on the enzyme reactions with phenol derivatives catalyzed by horseradish peroxidase (HRP). Substage I: Docking of PEG to the HRP and influence of PEG on the structure and dynamic of HRP Role:PI Type:Grant Level:University

Investigators:Szatkowski, L., Paneth, P. 10-2010 -03-2012 Ministry of Science and Higher Education, Poland The mechanism of dehalogenation of chlorophenols catalyzed by Horseradish Peroxidase Role:co-PI Completed Level:National

Investigators:Szatkowski, L., Dybala-Defratyka A., 10-2006 -06-2009 Ministry of Science and Higher Education, Poland Study on enzymatic degradation of halogenated phenols with the use of chlorine isotope effects and molecular modeling Role:Collaborator Completed Level:National

Investigators:Szatkowski, L. 01-2009 -06-2009 “Scholarship to support innovative research of doctoral students” financed by the European Social Fund and the National Budget Measurements of chlorine isotopic composition in samples from the chlorinated aromatic compounds. Chlorine kinetic isotope effect in reactions catalyzed by HRP and DHP Role:PI Completed Type:Fellowship Level:International

Book Chapter

Szatkowski L., Manna R. M., Grzybkowska A., Kamiński R., Dybala-Defratyka A., Paneth P., Measurement and Prediction of Chlorine Kinetic Isotope Effects in Enzymatic Systems, in Harris M., Anderson V., (Eds.) “Measurement and Analysis of Kinetic Isotope Effects, Methods in Enzymology", Volume 596, 2017, 179

Peer Reviewed Publications

Szatkowski, L., Varikoti, R. A., Dima., R. I., “Modeling the Mechanical Response of Microtubule Lattices to Pressure”, Journal of Physical Chemistry B, 2021, 125, 5009-5021

Szatkowski, L., Merz, D. R., Jiang, N., Ejikeme, I., Belonogov, L., Ross, J. L., Dima., R. I., “The Mechanics of the Microtubule Seam Interface Probed by Molecular Simulations and In Vitro Severing Experiments”, Journal of Physical Chemistry B, 2019, 123, 4888-4900

Szatkowski, L., Lynn, M., Williams, M., Baldo, A., Tardiff, J., Schwartz, S. D., “Proof of principle that molecular modeling followed by a biophysical experiment can develop small molecules that restore function to the cardiac thin filament in the presence of cardiomyopathic mutations”, ACS Omega, 2019, 4, 6492-6501

Szatkowski L., Hall M. B., Molybdenum Trihydride Complexes: A Computational Model of H2 Elimination Reaction From 17-electrons Molybdenum Complexes, Inorg. Chem., 2017, 56 (16), 9653

Szatkowski L., Hall M. B., Dehalogenation of chloroalkanes by nickel(I) porphyrin derivatives, a computational study, Dalton Trans., 2016, 45, 16869-16877

Szatkowski L., Hall M. B., Molybdenum Trihydride Complexes: Computational Determinations of Hydrogen Positions and Rearrangement Mechanisms, Inorg. Chem., 2015, 54 (13), 6380

Szatkowski L., Dybala-Defratyka A., Reply to comment on “A computational study on enzymatically driven oxidative coupling of chlorophenols: An indirect dehalogenation reaction [Szatkowski and Dybala-Defratyka, Chemosphere 91 (2013) 258–264]”, Chemosphere, 2013, 93(9), 2204

Szatkowski L., Dybala-Defratyka A., A computational study on enzymatically driven oxidative coupling of chlorophenols: An indirect dehalogenation reaction, Chemosphere, 2013, 91(3), 258

Szatkowski, L., Thompson, M. K., Kaminski, R., Franzen, S., Dybala-Defratyka, A., Oxidative dechlorination of halogenated phenols catalyzed by two distinct enzymes: Horseradish peroxidase and dehaloperoxidase, Arch. Biochem. Biophys., 2011, 505(1),22

Budzisz E., Lorenz I.-P., Mayer P., Paneth P., Szatkowski L., Krajewska U., Rozalski M., Miernicka M., Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(II), Pd(II) and Cu(II) complexes with pyridine-pyrazoles derivatives, New J. Chem., 2008, 32, 2238

Dybala-Defratyka A., Szatkowski L., Kaminski R., Wujec M., Siwek A., Paneth P., Kinetic Isotope Effects on Dehalogenations at an Aromatic Carbon, Environ. Sci. Technol., 2008, 42 (21), 7744

Dzierzawska J., Jarota A., Karolak M., Piotrowski L., Placek I., Swiderek K., Szatkowski L., Paneth P., Carbon and secondary deuterium kinetic isotope effects on SN2 methyl transfer reactions, J. Phys. Org. Chem., 2007, 20 (12), 1114

Papajak E., Kwiecień R. A., Rudziński J., Sicińska D., Kamiński R., Szatkowski L., Kurihara T., Esaki N., Paneth P., Mechanism of the Reaction Catalyzed by dl-2-Haloacid Dehalogenase As Determined from Kinetic Isotope Effects, Biochem., 2006, 45 (19), 6012

Peer Reviewed Conference/Workshop Proceedings

Szatkowski, L., Merz, D. R., Ross, J. L., Dima., R. I. “Mechanical Stability of Microtubule Lattices - Molecular Dynamic Indentation Studies”, Biophysical Journal, 2019, Supplement 1 to 116, 257A

Szatkowski L., Dybala-Defratyka A., Batarseh C., Blum J., Haliczc L., Gelman F., Bromine kinetic isotope effects: insight into Grignard reagent formation, New J. Chem., 2013, 37, 2241

Book Chapter

Szatkowski L., Manna R. M., Grzybkowska A., Kamiński R., Dybala-Defratyka A., Paneth P. (2017 ) Measurement and Prediction of Chlorine Kinetic Isotope Effects in Enzymatic Systems Measurement and Analysis of Kinetic Isotope Effects, Methods in Enzymology .(pp. 179). (Author)

Invited Presentations

Lukasz Szatkowski (05-2021. ) Mechanical Stability of Microtubule Lattices .University seminar, University of South Carolina. Other Institution. . Level:University

Lukasz Szatkowski (01-2019. ) Mechanical stability of microtubule lattices - molecular dynamic indentation studies .University seminar, Lodz University of Technology, Lodz, Poland. Level:University

Lukasz Szatkowski (01-2019. ) Mechanical stability of microtubule lattices - molecular dynamic indentation studies .University seminar, University of Warsaw, Warsaw, Poland. Level:University

Poster Presentations

Szatkowski, L., Merz, D. R., Ross, J. L., Dima., R. I. (03-2019. ) Mechanical Stability of Microtubule Lattices - Molecular Dynamic Indentation Studies .63rd Biophysical Society National Meeting, Baltimore, MD. . Level:International

Szatkowski, L., Williams, M., Lynn, M., Lehman, S., Tardiff, J. C., Schwartz, S. D. (02-2017. ) A New Paradigm Using Computation And Experiment to Design And Test Drugs to Treat Cardiomyopathies .61st Biophysical Society Annual Meeting, New Orleans, LA. . Level:International

Szatkowski, L., Hall, M. B. (03-2015. ) Dihydride vs. Dihydrogen the Influence of Ligands on the Orientation of Hydrogens in the Osmium Complex Compounds .Gordon Research Conference – Inorganic Reaction Mechanisms, Hotel Galvez, Galveston, TX. . Level:International

Szatkowski, L., Hall, M. B. Molybdenum Trihydride Complexes - Oxidatively Induced Reduction Elimination .ACS SouthWest Regional Meeting, Waco, TX. . Level:Regional

Szatkowski, L., Dybala-Defratyka A., Paneth P. (02-2012. ) To Polymerize or To Dehalogenate? A Study Mechanism of Degradation of Chlorophenols Catalyzed by Peroxidases .Gordon Research Conference Isotopes in Biological & Chemical Sciences, Hotel Galvez, Galveston, TX. . Level:International

Szatkowski, L., Dybala-Defratyka A., Paneth P. (02-2011. ) To Polymerize or To Dehalogenate? A Study Mechanism of Degradation of Chlorophenols Catalyzed by Peroxidases .Gordon Research Seminars Isotopes in Biological & Chemical Sciences, Hotel Galvez, Galveston, TX. . Level:International

Szatkowski, L., Dybala-Defratyka A., Paneth P. (06-2011. ) To Polymerize or To Dehalogenate? A Computational Study on Oxidative Coupling of Chlorophenols .ISOTOPES 2011, Château Laval, Gréoux-les-Bains, Provence-Alpes-Côte d’Azur, France. . Level:International

Szatkowski, L., Kaminski, R., Dybala-Defratyka A., Paneth P. (05-2009. ) Chlorine Kinetic Isotope Effect In Reactions Catalyzed by HRP& DHP .ISOTOPES 2009, Cluj - Napoca, Romania. . Level:International

Szatkowski, L., Kaminski, R., Paneth P. (05-2008. ) Kinetic Isotope Effects of Atrazine Hydrolysis .Kinetic methods of study reactions mechanisms in solutions, Adam Mickiewicz University, Poznan, Poland. . Level:Regional

Szatkowski, L., McDowell, L. M., Whitteck., E. L. (03-2023. ) Moving towards a more equitable approach to teaching general chemistry in an urban metropolitan university setting .ACS Spring National Meeting, Indianapolis, IN. . Level:International

Symposium

Szatkowski, L. (07-2021. ) How Computers Help Us Understand Chemistry .University of South Carolina Sumter, Sumter, SC. Other Institution.

Szatkowski, L., Varikoti, R. A., Dima., R. I. (03-2020. ) Mechanical Stability of Microtubule Lattices Under High Crowdedness .Denver, CO. Conference. Level:International

Szatkowski, L., Hall, M. B. (02-2014. ) Chloromethane Dehalogenation by Isobacteriochlorin Transition Metal Complexes .Hotel Galvez, Galveston, TX. Conference. Level:International

Szatkowski, L., Hall, M. B. (06-2013. ) Molybdenum Trihydride Complexes - Oxidatively Induced Reduction Elimination .Sopot, Poland. Conference. Level:International

Szatkowski, L., Dybala-Defratyka A., Paneth P. (06-2012. ) To Polymerize or To Dehalogenate? A Study Mechanism of Degradation of Chlorophenols Catalyzed by Peroxidases .Hotel Moscicki, Spala, Poland. Professional Meeting. Level:National

Event Organized

ISOTOPES 2013 Conference 2011 2013 Spala, Poland Level:International

2009 Ministry of Health award for a series of publications Ministry of Health, Poland Status:Recipient Level:National

Professional certificates:

• Data Visualization with Tableau Certificate, Coursera, UC Davis, 2023
• AWS Cloud Solutions Architect Professional Certificate, Coursera, AWS, 2023
• AWS Fundamentals Specialization, Coursera, AWS, 2023
• Machine Learning Specialization, Coursera, DeepLearning.AI and Stanford University Online, 2022
• Deep Learning Specialization, Coursera, DeepLearning.AI, 2022
• IBM Data Science Professional Certificate, Coursera, 2022
• IBM Data Science Fundamentals with Python and SQL Certificate, Coursera, 2021
• IBM Applied Data Science Certificate, Coursera, 2021
• Getting Started Teaching Online, Center for Teaching Excellence, University of South Carolina, 2021