Dávid Bajusz

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2025 J jnl
Evaluation of single-template ligand-based methods for the discovery of small-molecule nucleic acid binders.
Briefings Bioinform.
Dávid Bajusz, Anita Rácz, Janusz M. Bujnicki, Filip Stefaniak
2025 J jnl
Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors.
J. Chem. Inf. Model.
Tibor Viktor Szalai, Nikolett Péczka, Levente Sipos-Szabó, László Petri, Dávid Bajusz, György M. Keserü
2024 J jnl
Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.
J. Chem. Inf. Model.
Sonja Peter, Lydia Siragusa, Morgan C. Thomas, Tommaso Palomba, Simon Cross, Noel M. O'Boyle, Dávid Bajusz, György G. Ferenczy, György M. Keserü, Giovanni Bottegoni, Brian Joseph Bender, I-Jen Chen, Chris de Graaf
2024 J jnl
Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments.
J. Chem. Inf. Model.
Tibor Viktor Szalai, Dávid Bajusz, Rita Börzsei, Balázs Zoltán Zsidó, Janez Ilas, György G. Ferenczy, Csaba Hetényi, György M. Keserü
2024 J jnl
Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries?
J. Chem. Inf. Model.
Levente M. Mihalovits, Tibor Viktor Szalai, Dávid Bajusz, György M. Keserü
2023 J jnl
SH2db, an information system for the SH2 domain.
Nucleic Acids Res.
Dávid Bajusz, Gáspár Pándy-Szekeres, Ágnes Takács, Elvin D. de araujo, György M. Keserü
2022 J jnl
Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors.
J. Chem. Inf. Model.
Amanda E. Wakefield, Dávid Bajusz, Dima Kozakov, György M. Keserü, Sandor Vajda
2022 J jnl
Extended continuous similarity indices: theory and application for QSAR descriptor selection.
J. Comput. Aided Mol. Des.
Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon David Kim, Ramón Alain Miranda-Quintana, Károly Héberger
2022 J jnl
Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.
J. Chem. Inf. Model.
Anita Rácz, Levente M. Mihalovits, Dávid Bajusz, Károly Héberger, Ramón Alain Miranda-Quintana
2021 J jnl
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics
J. Cheminformatics
Ramón Alain Miranda-Quintana, Dávid Bajusz, Anita Rácz, Károly Héberger
2021 J jnl
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection.
J. Cheminformatics
Ramón Alain Miranda-Quintana, Anita Rácz, Dávid Bajusz, Károly Héberger
2018 J jnl
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints.
J. Cheminformatics
Anita Rácz, Dávid Bajusz, Károly Héberger
2018 J jnl
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.
Zoltán Orgován, György G. Ferenczy, Thomas Steinbrecher, Bence Szilágyi, Dávid Bajusz, György M. Keserü
2016 J jnl
Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.
J. Chem. Inf. Model.
Dávid Bajusz, György G. Ferenczy, György M. Keserü
2015 J jnl
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
J. Cheminformatics
Dávid Bajusz, Anita Rácz, Károly Héberger