Publication entry:

PrankWeb 3: accelerated ligand-binding site predictions for experimental and modelled protein structures

Full citation: Jakubec, D., Skoda, P., Krivak, R., Novotny, M., & Hoksza, D. (2022). PrankWeb 3: Accelerated ligand-binding site predictions for experimental and modelled protein structures. Nucleic Acids Research, 50(W1), W593–W597.
BibTeX citation file download: jakubec2022prankweb.bib

Internal authors

Petr Škoda

Researcher

David Hoksza

Head of department, Associate professor

Related software

P2Rank

P2Rank is a state-of-the-art machine learning-based method for ligand binding sites prediction based on protein structure.

Research topics

Bioinformatics

Bioinformatics sits on the interface of computer science and molecular biology where it helps to manage, understand and analyze biological and biomedical data. Our research in bioinformatics focuses on the development of software tools applicable mainly in the domain of structural bioinformatics and visualization. These include tools for protein binding site detection, with the application in computational drug discovery, or tools for visualization of the structure of macromolecules. All our methods are implemented as software solutions used by thousands of users all over the world. Most of our tools were first implemented as bachelor or master thesis in our department.

Research Software Engineering

Optimization of scientific code to allow scientific breakthroughs.