Image Place holder

Aleksandra Karolak, PhD

ASSISTANT MEMBER FACULTY RS

Program: Machine Learning

View Lab Page

Overview

Dr. Karolak’s background includes application and development of tools from the fields of computational and biophysical chemistry, structural biology, mathematical oncology, machine learning, and information theory. Her interests focus on understanding cancer development, progression, and variability in the response to treatment using models that can be translated into the clinic. She will be leading the application of machine learning in computational biology and drug discovery as part of the Molecular Medicine Program.


Associations

    • Machine Learning
    • Gastrointestinal Oncology
    • Molecular Medicine Program

Education & Training

Graduate:

  • University of South Florida - PhD - Biophysical and Computational Chemistry
  • Adam Mickiewicz University - MSc - Metal-Organic Chemistry, Maxima Cum Laude, Individual Curriculum
Research

Dr. Karolak’s background includes application and development of tools from the fields of computational and biophysical chemistry, structural biology, mathematical oncology, machine learning, and information theory. Her interests focus on understanding cancer development, progression, and variability in the response to treatment using models that can be translated into the clinic. She will be leading the application of machine learning in computational biology and drug discovery as part of the Molecular Medicine Program.

Publications

  • McCune JS, Nakamura R, O'Meally D, Randolph TW, Sandmaier BM, Karolak A, Hockenbery D, Navarro SL. Pharmacometabonomic association of cyclophosphamide 4-hydroxylation in hematopoietic cell transplant recipients. Clin Transl Sci. 2022 May.15(5):1215-1224. Pubmedid: 35106927. Pmcid: PMC9099130.
  • Karolak A, Levatić J, Supek F. A framework for mutational signature analysis based on DNA shape parameters. PLoS One. 2022 Jan.17(1):e0262495. Pubmedid: 35015788. Pmcid: PMC8752002.
  • Karolak A, Branciamore S, McCune JS, Lee PP, Rodin AS, Rockne RC. Concepts and Applications of Information Theory to Immuno-Oncology. Trends Cancer. 2021 Apr.7(4):335-346. Pubmedid: 33618998. Pmcid: PMC8156485.
  • Karolak A, Poonja S, Rejniak KA. Morphophenotypic classification of tumor organoids as an indicator of drug exposure and penetration potential. PLoS Comput Biol. 2019 Jul.15(7):e1007214. Pubmedid: 31310602. Pmcid: PMC6660094.
  • Khabibullin AR, Karolak A, Budzevich MM, McLaughlin ML, Morse DL, Woods LM. Structure and properties of DOTA-chelated radiopharmaceuticals within the 225Ac decay pathway. Medchemcomm. 2018 Jul.9(7):1155-1163. Pubmedid: 30109003. Pmcid: PMC6072494.
  • Karolak A, Markov DA, McCawley LJ, Rejniak KA. Towards personalized computational oncology: from spatial models of tumour spheroids, to organoids, to tissues. J R Soc Interface. 2018 Jan.15(138). Pubmedid: 29367239. Pmcid: PMC5805971.
  • Karolak A, Estrella VC, Huynh AS, Chen T, Vagner J, Morse DL, Rejniak KA. Targeting Ligand Specificity Linked to Tumor Tissue Topological Heterogeneity via Single-Cell Micro-Pharmacological Modeling. Sci Rep. 2018 Feb.8(1):3638. Pubmedid: 29483578. Pmcid: PMC5827036.
  • Mukherjee S, Karolak A, Debant M, Buscaglia P, Renaudineau Y, Mignen O, Guida WC, Brooks WH. Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release. J Chem Inf Model. 2017 02.57(2):335-344. Pubmedid: 28151650.
  • Karolak A, van der Vaart A. BII stability and base step flexibility of N6-adenine methylated GATC motifs. Biophys Chem. 2016 Mar.203-204:22-27. Pubmedid: 26004863.
  • Khabibullin AR, Karolak A, Budzevich MM, Woods LM, Martinez MV, McLaughlin ML, Morse DL. SU-C-204-03: DFT Calculations of the Stability of DOTA-Based-Radiopharmaceuticals. Med Phys. 2016 Jun.43(6):3314.
  • Karolak A, van der Vaart A. Molecular Dynamics Simulations of 5-Hydroxycytosine Damaged DNA. J Phys Chem B. 2016 Jan.120(1):42-48. Pubmedid: 26654566.
  • Pérez-Velázquez J, Gevertz JL, Karolak A, Rejniak KA. Microenvironmental Niches and Sanctuaries: A Route to Acquired Resistance. Adv Exp Med Biol. 2016 Dec.936:149-164. Pubmedid: 27739047. Pmcid: PMC5113820.
  • Karolak A, van der Vaart A. Enhanced sampling simulations of DNA step parameters. J Comput Chem. 2014 Dec.35(32):2297-2304. Pubmedid: 25303338.
  • Karolak A, van der Vaart A. Importance of local interactions for the stability of inhibitory helix 1 in apo Ets-1. Biophys Chem. 2012 May.165-166:74-78. Pubmedid: 22494801.