Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest


Dávid Bajusz

research fellow


Email: bajusz.davidttkmtahu
Phone: +36 1 3826 974

Scientific interests: computational chemistry, molecular modelling, drug design

CV Publications ORCID Scopus MTMT

Selected publications

  1. The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors
    Attila Egyed, Dávid Bajusz, György M.Keserű
    Bioorganic and Medicinal Chemistry, 2019, (in press)


  2. Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
    Anita Rácz, Dávid Bajusz and Károly Héberger
    Journal of Cheminformatics, 2018, 10, 48.


  3. Pharmacologic inhibition of STAT5 in acute myeloid leukemia
    Bettina Wingelhofer, Barbara Maurer, Elizabeth C. Heyes, Abbarna C. Cumaraswamy, Angelika Berger-Becvar, Elvin D. de Araujo, Anna Orlova, Patricia Freund, Frank Ruge, Jisung Park, Gary Tin, Siawash Ahmar, Charles-Hugues Lardeau, Irina Sadovnik, Dávid Bajusz, György Miklós Keserű, Florian Grebien, Stefan Kubicek, Peter Valent, Patrick T. Gunning and Richard Moriggl
    Leukemia, 2018, 32, 1135-1146.


  4. Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening
    D. Bajusz, G. G. Ferenczy, G. M. Keserű
    Journal of Chemical Information and Modeling, 2016, 56 (1), 234-247.


  5. Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters
    A. Rácz, D. Bajusz, K. Héberger
    SAR and QSAR in Environmental Research, 2015, 26, 683-700.


  6. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
    D. Bajusz, A. Rácz, K. Héberger
    Journal of Cheminformatics, 2015, 7, 20