Dávid Bajusz

According to our database, Dávid Bajusz authored at least 13 papers between 2015 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments.

Tibor Viktor Szalai, Dávid Bajusz, Rita Börzsei, Balázs Zoltán Zsidó, Janez Ilas, György G. Ferenczy, Csaba Hetényi, György M. Keserü

J. Chem. Inf. Model., 2024

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.

Sonja Peter, Lydia Siragusa, Morgan 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

J. Chem. Inf. Model., 2024

Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries?

Levente M. Mihalovits, Tibor V. Szalai, Dávid Bajusz, György M. Keserü

J. Chem. Inf. Model., 2024

2023

SH2db, an information system for the SH2 domain.

Dávid Bajusz, Gáspár Pándy-Szekeres, Ágnes Takács, Elvin D. de araujo, György M. Keserü

Nucleic Acids Res., July, 2023

2022

Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors.

Amanda E. Wakefield, Dávid Bajusz, Dima Kozakov, György M. Keserü, Sandor Vajda

J. Chem. Inf. Model., 2022

Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.

Anita Rácz, Levente M. Mihalovits, Dávid Bajusz, Károly Héberger, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2022

Extended continuous similarity indices: theory and application for QSAR descriptor selection.

Anita Rácz, Timothy B. Dunn, Dávid Bajusz, Taewon David Kim, Ramón Alain Miranda-Quintana, Károly Héberger

J. Comput. Aided Mol. Des., 2022

2021

Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection.

Ramón Alain Miranda-Quintana, Anita Rácz, Dávid Bajusz, Károly Héberger

J. Cheminformatics, 2021

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

Ramón Alain Miranda-Quintana, Dávid Bajusz, Anita Rácz, Károly Héberger

J. Cheminformatics, 2021

2018

Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints.

Anita Rácz, Dávid Bajusz, Károly Héberger

J. Cheminformatics, 2018

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.

Zoltán Orgován, György G. Ferenczy, Thomas Steinbrecher, Bence Szilágyi, Dávid Bajusz, György M. Keserü

J. Comput. Aided Mol. Des., 2018

2016

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

Dávid Bajusz, György G. Ferenczy, György M. Keserü

J. Chem. Inf. Model., 2016

2015

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

Dávid Bajusz, Anita Rácz, Károly Héberger

J. Cheminformatics, 2015