List of works - Dávid Bajusz

Binary similarity measures for fingerprint analysis of qualitative metabolomic profiles.

scientific article published on 31 January 2018

Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking

scientific article published on 24 July 2019

Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters.

scientific article published on 5 October 2015

DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders

scientific article published on 08 March 2019

Direct Targeting Options for STAT3 and STAT5 in Cancer

scientific article published on 03 December 2019

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

scientific article published on 16 July 2019

Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.

scientific article published on 31 December 2015

Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitors

scientific article published on 17 October 2016

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics†

scientific article published on 23 April 2021

Human Serum Albumin Binding in a Vial: A Novel UV-pH Titration Method To Assist Drug Design

scientific article published on 11 February 2020

Identification of 8-Hydroxyquinoline Derivatives Active Against Somatic V658F Mutant JAK1-Dependent Cells.

scientific article published on 10 November 2016

Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR

scientific article published on 04 April 2019

Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints

scientific article published on 04 October 2018

Modelling methods and cross-validation variants in QSAR: a multi-level analysis$

scientific article published on 30 August 2018

Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics

scientific article published on 01 August 2019

Multivariate assessment of lipophilicity scales-computational and reversed phase thin-layer chromatographic indices.

scientific article published in April 2016

One- versus two-electron oxidation with peroxomonosulfate ion: reactions with iron(II), vanadium(IV), halide ions, and photoreaction with cerium(III)

scientific article published on 01 February 2009

Pharmacologic inhibition of STAT5 in acute myeloid leukemia.

scientific article published on 2 February 2018

Structural Implications of STAT3 and STAT5 SH2 Domain Mutations

scientific article published on 08 November 2019

Structure-based Virtual Screening Approaches in Kinase-directed Drug Discovery.

scientific article published on 24 February 2017

The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors

scientific article published on 16 February 2019

Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of D-amino acid oxidase inhibitors

scientific article published on 15 January 2018

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

scientific article

List of works by Dávid Bajusz