Jirí Vondrásek

According to our database, Jirí Vondrásek authored at least 18 papers between 1997 and 2023.

Collaborative distances:

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

2023

A comparison of approaches to accessing existing biological and chemical relational databases via SPARQL.

Jakub Galgonek, Jirí Vondrásek

J. Cheminformatics, December, 2023

PAPerFly: Partial Assembly-based Peak Finder for ab initio binding site reconstruction.

Katerina Faltejsková, Jirí Vondrásek

BMC Bioinform., December, 2023

2022

Iterative Landmark-Based Umbrella Sampling (ILBUS) Protocol for Sampling of Conformational Space of Biomolecules.

Jirí Vymetal, Jirí Vondrásek

J. Chem. Inf. Model., 2022

Scalable semi-supervised dimensionality reduction with GPU-accelerated EmbedSOM.

Adam Smelko, Sona Molnárová, Miroslav Kratochvíl, Abhishek Koladiya, Jan Musil, Martin Krulis, Jirí Vondrásek

CoRR, 2022

2021

Amino Acid Interactions (INTAA) web server v2.0: a single service for computation of energetics and conservation in biomolecular 3D structures.

Jirí Vymetal, David Jakubec, Jakub Galgonek, Jirí Vondrásek

Nucleic Acids Res., 2021

IDSM ChemWebRDF: SPARQLing small-molecule datasets.

Jakub Galgonek, Jirí Vondrásek

J. Cheminformatics, 2021

2020

Correction to: Interoperable chemical structure search service.

Miroslav Kratochvíl, Jirí Vondrásek, Jakub Galgonek

J. Cheminformatics, 2020

ShinySOM: graphical SOM-based analysis of single-cell cytometry data.

Miroslav Kratochvíl, David Bednárek, Tomás Sieger, Karel Fiser, Jirí Vondrásek

Bioinform., 2020

2019

Interoperable chemical structure search service.

Miroslav Kratochvíl, Jirí Vondrásek, Jakub Galgonek

J. Cheminformatics, 2019

Sequence Versus Composition: What Prescribes IDP Biophysical Properties?

Jirí Vymetal, Jirí Vondrásek, Klára Hlouchová

Entropy, 2019

3DPatch: fast 3D structure visualization with residue conservation.

David Jakubec, Jirí Vondrásek, Robert D. Finn

Bioinform., 2019

2018

Sachem: a chemical cartridge for high-performance substructure search.

Miroslav Kratochvíl, Jirí Vondrásek, Jakub Galgonek

J. Cheminformatics, 2018

2017

Amino Acid Interaction (INTAA) web server.

Jakub Galgonek, Jirí Vymetal, David Jakubec, Jirí Vondrásek

Nucleic Acids Res., 2017

2016

Advanced SPARQL querying in small molecule databases.

Jakub Galgonek, Tomás Hurt, Vendula Michlíková, Petr Onderka, Jan Schwarz, Jirí Vondrásek

J. Cheminformatics, 2016

2014

On InChI and evaluating the quality of cross-reference links.

Jakub Galgonek, Jirí Vondrásek

J. Cheminformatics, 2014

2008

MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening.

Shuangye Yin, Lada Biedermannová, Jirí Vondrásek, Nikolay V. Dokholyan

J. Chem. Inf. Model., 2008

2002

HIV Protease Structural Database.

Veerasamy Ravichandran, Jirí Vondrásek, Gary Gilliland, T. N. Bhat, Alexander Wlodawer

Proceedings of the 1st IEEE Computer Society Bioinformatics Conference, 2002

1997

Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock results.

Pavel Hobza, Martin Kabelác, Jirí Sponer, Petr Mejzlík, Jirí Vondrásek

J. Comput. Chem., 1997