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
