Dávid Bajusz

Publication Activity (10 Years)

Years Active: 2015-2023
Publications (10 Years): 10

Top Topics

Virtual Screening

Fingerprint Authentication

Similarity Measure

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Nucleic Acids Res.

Publications

Dávid Bajusz, Gáspár Pándy-Szekeres, Ágnes Takács, Elvin D. de araujo, György M. Keserü
SH2db, an information system for the SH2 domain. Nucleic Acids Res. 51 (W1) (2023)
Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon David Kim, Ramón Alain Miranda-Quintana, Károly Héberger
Extended continuous similarity indices: theory and application for QSAR descriptor selection. J. Comput. Aided Mol. Des. 36 (3) (2022)
Amanda E. Wakefield, Dávid Bajusz, Dima Kozakov, György M. Keserü, Sandor Vajda
Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors. J. Chem. Inf. Model. 62 (20) (2022)
Anita Rácz, Levente M. Mihalovits, Dávid Bajusz, Károly Héberger, Ramón Alain Miranda-Quintana
Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices. J. Chem. Inf. Model. 62 (14) (2022)
Ramón Alain Miranda-Quintana, Dávid Bajusz, Anita Rácz, Károly Héberger
. J. Cheminformatics 13 (1) (2021)
Ramón Alain Miranda-Quintana, Anita Rácz, Dávid Bajusz, Károly Héberger
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection. J. Cheminformatics 13 (1) (2021)
Zoltán Orgován, György G. Ferenczy, Thomas Steinbrecher, Bence Szilágyi, Dávid Bajusz, György M. Keserü
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. J. Comput. Aided Mol. Des. 32 (2) (2018)
Anita Rácz, Dávid Bajusz, Károly Héberger
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints. J. Cheminformatics 10 (1) (2018)
Dávid Bajusz, György G. Ferenczy, György M. Keserü
Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening. J. Chem. Inf. Model. 56 (1) (2016)
Dávid Bajusz, Anita Rácz, Károly Héberger
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? J. Cheminformatics 7 (2015)