Machine Learning augmented docking studies of aminothioureas at the SARS-CoV-2—ACE2 interface.

09/09/2021 - 14:02

Monika Rola, Jakub Krassowski, Julita Górska, Anna Grobelna, Wojciech Płonka, Agata Paneth, Piotr Paneth PLoS ONE, Sept. 9, 2021;

Machine Learning augmented docking studies of aminothioureas at the SARS-CoV-2—ACE2 interface.

MAIN RESEARCH AREAS

Molecular biotechnology

In particular, new biological materials, new biocatalysts, and new regulatory molecules.

New materials

In particular, new bio-compatible polymers and bioconjugates.

Applied computational technologies

In particular, computer simulations and computational tools for the prediction of properties, structure, and dynamics of molecular and macromolecular systems.

PARTNERS

Strategic Partner

Machine Learning augmented docking studies of aminothioureas at the SARS-CoV-2—ACE2 interface.

MAIN RESEARCH AREAS

Molecular biotechnology

New materials

Applied computational technologies

PARTNERS

Strategic Partner

Max Planck Institute

Industrial Partners

SiA Pietrucha Sp. z o.o.

Grupa Maspex sp. z o.o sp. k

Adamed Pharma S.A.

International Centre for Research on Innovative Bio-based Materials