our work - services

to hit the bull's-eye

Drug Design

in silico structure-based, ligand-based, consensus methods, deep learning, qsar

drug design scenario where the active site resides on the RNA-protein interface (blue mesh)

Custom Database Design

(compound) library design, activity database design, database deployment

database design algorithms

Virtual Screening

structure-based, ligand-based, consensus, deep learning, novel methodologies, algorith optimisation, ...

drug discovery algorithms

Bioinformatics - Chemoinformatics

library analysis, (big-)data analysis; applied to bio-/chemo-informatics

from small focused libraries to big-data (exhaustive chemical libraries, genome sequencing data)

"Big molecule" Support

in silico research and design of peptides and macromolecules, protein engineering, biotechnology support

peptide binding to an experimental anti-cancer therapeutic target

Artificial Intelligence (AI) in Drug Discovery

developement of AI-assisted drug-design methods and tools, data-driven, implicit model-building, de novo generation

one of possible DL approaches

Drug Design Software Development

custom software design, software-hardware setup for specific drug design tasks, drug design software support and training, system maintenence and support