AI-Driven Virtual Screening for Drug Discovery
High-throughput structure-based and ligand-based virtual screening to identify promising drug candidates efficiently and accurately using advanced computational modeling and molecular simulation approaches.
TSLab provides advanced Virtual Screening services to accelerate early-stage drug discovery. By integrating structure-based modeling, molecular docking, molecular dynamics validation, and quantum-level refinement, we help researchers and pharmaceutical teams identify high-potential compounds efficiently and cost-effectively.
Our approach reduces experimental workload, shortens discovery timelines, and increases hit identification success rates.
Our Capabilities
Structure-Based Virtual Screening (SBVS)
- Molecular docking against protein targets
- Active site identification and validation
- Binding affinity prediction
- Pose analysis and interaction mapping
Ligand-Based Virtual Screening (LBVS)
- Pharmacophore modeling
- Similarity-based screening
- QSAR modeling
- Chemical space exploration
High-Throughput Screening Pipelines
- Screening of thousands to millions of compounds
- Custom compound library preparation
- Natural product libraries
- Commercial and in-house databases
Post-Screening Validation
- Molecular Dynamics (MD) simulation refinement
- MM/PBSA and MM/GBSA binding energy estimation
- Stability and interaction analysis
- ADMET prediction support
Contact
Jl. Tamalate 3 no. 136 Makassaar
thl.sc.lab@gmail.com
6282333331270