Drug resistance often emerges through point mutations that reshape the free energy landscape. We specialize in ΔΔG predictions for mutations to help you understand and anticipate resistance.
Typical questions we address
Which mutations are likely to weaken drug binding?
How do different clinical variants compare in terms of ΔΔG?
Can we prioritize second-generation designs against resistant mutants?
Deliverables
Per-mutation ΔΔG predictions for selected residues
Ranked lists of mutations (stabilizing, neutral, destabilizing for binding)
Visualizations of mutation sites on the structure
Strategic commentary to support medicinal chemistry decisions
Drug resistance often emerges through point mutations that reshape the free energy landscape. We specialize in ΔΔG predictions for mutations to help you understand and anticipate resistance.
Typical questions we address
Which mutations are likely to weaken drug binding?
How do different clinical variants compare in terms of ΔΔG?
Can we prioritize second-generation designs against resistant mutants?
Deliverables
Per-mutation ΔΔG predictions for selected residues
Ranked lists of mutations (stabilizing, neutral, destabilizing for binding)
Visualizations of mutation sites on the structure
Strategic commentary to support medicinal chemistry decisions