Computational Discovery & Validation
The Bridge Between Hypothesis and Certainty. Q-Lab Solutions provides high-resolution computational modeling to validate drug-target interactions, reducing wet-lab failure rates and optimizing lead selection.
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We predict how small molecules bind to specific protein targets.
Deliverable: Ranked binding affinities and 3D interaction maps. Our report offer detailed and sophisticated interpretation for the observed results that can help you deeply understand the interaction and predict the drug mechanism of action.
We observe the stability of the protein-ligand complex over time.
Deliverable: Binding stability report with exploration of interaction modes and bonding types over time. Stability metrics including RMSD/RMSF, Gyration (RoG), Solvent Accessibility (SASA), and H-bond persistence data. Professional interpretation and visual illustrations of the interactions that can take your results into the next level of proficiency.
We transform raw experimental data into publication-quality insights. Deliverables include statistically rigorous reports and high-resolution visualizations (ggplot2) for R&D decision-making
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