AAV Chromatography
Simulation Platform
Design, simulate, and optimize AAV purification methods in-silico. Physics-based modeling that accelerates process development and reduces experimental burden.
Built for AAV Process Scientists
From method design to fraction optimization, VectorSim provides the computational tools your purification workflow needs.
Multi-Step Method Builder
Design complete chromatography protocols with equilibration, load, wash, elution, and strip steps. Configure columns, resins, and buffer chemistry parameters.
Physics-Based Simulation
Discrete Lagrangian Migration model with analytical SMA retention, EMG peak shapes, Yamamoto plate-theory broadening, and gradient/overload effects.
Capsid Heterogeneity Modeling
Full AAV population simulation with Wörner VP assembly, Lock pI model, VP1 phosphorylation, deamidation, and DNA content variability.
Interactive Chromatograms
Visualize A260, A280, pH, conductivity, and flow rate signals. Drag-to-select fractions directly on the chromatogram with real-time mass balance updates.
Buffer Chemistry Engine
Accurate conductivity from NaCl, Sodium Acetate, MgCl₂, and BTP. Limiting ionic conductivities with high ionic strength correction and temperature adjustments.
Mass Balance & Fractionation
Per-fraction analysis with total CP, empty/partial/full/heavy counts, VG, A260/A280 ratios, titers, and VG/CP. Trapezoidal AUC integration.
Grounded in Real Physics
Our simulation engine is built on validated transport and retention models from the chromatography literature.
Transport Models
Discrete Lagrangian Migration
PrimaryAnalytical elution calculations with EMG peak shapes, Yamamoto plate-theory broadening, gradient broadening, and load-dependent overload broadening.
Lagrangian Transport Model
AdvancedParticle-tracking approach for non-equilibrium binding kinetics with mass transfer resistance and pore diffusion.
Eulerian LKS Column Model
AdvancedGrid-based PDE solver for competitive multi-component binding with axial dispersion and film mass transfer.
AAV Capsid Biology
Wörner VP Assembly
StoichiometryMultinomial VP1:VP2:VP3 stoichiometry modeling calibrated to experimental CE-SDS data. Two-pool assembly for packaging-competent and impaired capsids.
Lock pI & Deamidation
ChargeVP-specific isoelectric point modeling with asparagine deamidation kinetics and VP1 phosphorylation for realistic charge heterogeneity.
DNA Extinction Coefficients
UVSequence-based ε260/ε280 calculation with per-nucleotide extinction values, hypochromism correction, and FASTA support.
Steric Mass Action (SMA) Retention Model
Keq = Ka · (q0 - (z + σ)q)z / cszWhere z is the characteristic charge, σ is the steric factor, q0 is the ionic capacity, and cs is the salt concentration.
A Complete Development Platform
Everything you need to take your AAV purification from first principles to optimized production protocol.
Design Your Method
- Select column and resin parameters
- Configure multi-step protocols
- Define buffer A/B compositions
- Set sample load and gradient profiles
Simulate & Analyze
- Run physics-based elution simulation
- Visualize chromatograms with all signals
- Examine capsid population distributions
- Review VP stoichiometry & pI distributions
Optimize & Collect
- Define fractions on the chromatogram
- Analyze per-fraction mass balance
- Compare empty/full capsid recovery
- Iterate methods to maximize VG yield
3
Simulation Models
6+
Signal Types
4
Capsid Sub-populations
< 5s
Simulation Time
Request Early Access
VectorSim is currently in early access. Join the waitlist to be among the first to accelerate your AAV process development.