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Cheminformatics & structural biology
- Target structure modeling (e.g. comparative modeling, determination of the druggable clefts, defining area of interaction with other biomolecules)
- In silico high throughput screening, based on the target structure with in-house developed cheminformatics and machine learning methods.
- Ligand based discovery based on pharmacophore queries, development of derivatives of active small molecules. As part of the EU-Openscreen project ability to experimentally determine ADME/T parameters.
Genomics
- Genome anotation pipeline with functional anotation assessment. The pipeline is based on MAKER with gene predictor training (GeneMark-ES, SNAP, Augustus) and ability to merge RNASeq data with in silico anotation. The Pipeline and functional anotation tools are deployed on HPC infrastructure with separate resources allocated.
- (FIXME) Narzędzia do analizy miRNA [9]. Tools4miRs to pierwsza, ręcznie opracowana platforma gromadząca i kategoryzująca ponad 170 metod szeroko zdefiniowanej analizy miRNA. Tools4miRs dostarcza również narzędzia do metaanalizy przewidywania celu miRNA, pozwalając użytkownikowi wybrać odpowiednie metody. Serwis Tools4miRs jest systematycznie aktualizowany i rozszerzany. http://tools4mirs.org
Data mining
- Literature mining methodologies mainly from the "information extraction" field. Our services provide complement to "Gene Ontology" and/or manually curated information with direct use of highly specific English keywords extracted from literature databases [7],[8].