• 26 Citations
  • 1 h-Index

Research output per year

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Personal profile

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1 Last checked 23 June 2020



Dr. Vyrkou has received her undergraduate diploma in Chemical Engineering from the School of Chemical Engineering in the National Technical University of Athens in 2005 and has completed her PhD Thesis, entitled “Molecular simulations of synthetic liquid crystalline materials for the design of biosensors”, in 2012 at the same university.

After the completion of her PhD, she took a five-year career break to care for her growing family.

In May 2018, she became a Daphne Jackson Research Fellow, at the School of Applied Sciences at the University of Huddersfield. She is currently working on the project “Molecular simulation studies of human Lactate Dehydrogenase A and its inhibitors for the design of anticancer drugs” under the mentoring of Prof. R. Phillips and Dr. D. Cooke.

Research Expertise and Interests

Her current research interests lie in the study of biomolecules and organic complexes through molecular dynamics simulations.

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Research Output

  • 26 Citations
  • 1 h-Index
  • 1 Article

Systematic coarse graining of 4-Cyano-4′-pentylbiphenyl

Megariotis, G., Vyrkou, A., Leygue, A. & Theodorou, D. N., 19 Jan 2011, In : Industrial and Engineering Chemistry Research. 50, 2, p. 546-556 11 p.

Research output: Contribution to journalArticle

  • 26 Citations (Scopus)


    • 4 Membership of a Society or Institute
    • 1 Oral presentation
    • 1 Poster presentation

    An atomistic molecular dynamics simulations approach to the study of h-LDHA inhibition

    Antonia Vyrkou (Speaker)

    29 Nov 2019

    Activity: Talk or presentation typesOral presentation

    Atomistic force field preparation and validation for h- LDHA and Ag8 for molecular dynamics simulations

    Antonia Vyrkou (Speaker)

    Oct 2019

    Activity: Talk or presentation typesPoster presentation

    International Society for Computational Biology (External organisation)

    Antonia Vyrkou (Member)

    18 Jun 2019

    Activity: Membership typesMembership of a Society or Institute

    Royal Society of Chemistry (External organisation)

    Antonia Vyrkou (Member)

    Mar 2019

    Activity: Membership typesMembership of a Society or Institute

    Greek Institute of Chemical Engineers (External organisation)

    Antonia Vyrkou (Member)

    2009 → …

    Activity: Membership typesMembership of a Society or Institute