Dávid Bajusz
research fellow
Email: bajusz.david
ttk
mta
hu
Phone: +36 1 3826 974
Scientific interests: computational chemistry, molecular modelling, drug design
Selected publications
- 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. - Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints
Anita Rácz, Dávid Bajusz and Károly Héberger
Journal of Cheminformatics, 2018, 10, 48. - 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. - 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. - 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. - Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
D. Bajusz, A. Rácz, K. Héberger
Journal of Cheminformatics, 2015, 7, 20