Dávid Bajusz

Email: bajusz.davidttkhu
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, 27, 1497-1508.



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