Enabling hypothesis driven-design
Syngene’s Molecular modeling and computer-aided drug design (CADD) services help design novel molecules for applications in diverse domains and solve problems encountered in achieving the project objective. Syngene provides modeling services either as part of integrated services or on a standalone basis.
Computational Chemistry
- Virtual screening
- Structure-based design
- Ligand-based design
- Scaffold hopping and de novo design
- Water analysis & FEP
- Library design
Cheminformatics
- HTS triage and expansion
- Predictive chemical absorption distribution metabolism excretion toxicity (ADMET)
- Diversity and chemical space exploration
Structural Informatics
- Protein sequence analysis, multiple sequences alignments and selectivity analysis
- Binding site identification and druggability assessment
- Protein homology modeling
Biologics Design
- Protein and antibody engineering
- Humanization
- Optimization of physiochemical properties
- Liabilities assessment and mitigation
Generative Artificial Intelligence
- Predictive ADMET modeling
- Multiparameter optimization
