Consulting Services
- Structure-based drug design via molecular docking, molecular dynamics and comparative binding energy analysis
- Pharmacophore perception and SAR rationalization via both structural and statistical means
- Chemical library evaluation according to biological relevance, chemical diversity, assay-suitability and pharmacological viability
- ADME and Toxicology profiling
- Chemical reactivity prediction
- Small molecule structure and property prediction
- Protein structure prediction
- Protein function assessment by homology, threading and motif detection
- Molecular dynamics simulations of biomolecular constructs and small molecules
- Data mining, including feature selection, machine learning, clustering and model validation
- Graphical Design
- Technical Writing
- Custom Scientific and Procedural Programming