Mechanistic modeling of chromatography pictogram - black
Lab scientists working with GoSIlico Chromatography Modeling Software

Case studies and publications on mechanistic modeling

Virus-like particles (VLP)

  • IEX: Modeling and simulation of anion-exchange membrane chromatography for purification of Sf9 insect cell-derived virus-like particles (publication)
  • IEX: Accelerating VLP purification process development (article)

Monoclonal antibodies (mAbs)

  • IEX: Adsorption of colloidal proteins in ion-exchange chromatography under consideration of charge regulation (publication)
  • IEX: Calibration-free inverse modeling of ion-exchange chromatography in industrial antibody purification (publication)
  • IEX: Modeling of complex antibody elution behavior under high protein load densities in ion exchange chromatography using an asymmetric activity coefficient (publication)
  • Prediction uncertainty assessment of chromatography models using Bayesian inference (publication)
  • IEX: Optimization of an antibody polishing step (article)
  • IEX: Scalability of mechanistic models for ion exchange chromatography under high load conditions (poster, FAQ)
  • CIEX: Cross-scale quality assessment of a mechanistic cation exchange chromatography model (publication)
  • MM: Mechanistic modeling, simulation, and optimization of mixed-mode chromatography for an antibody polishing step (publication)
  • Affinity capture: Predictive scaling of fiber-based protein A capture chromatography using mechanistic modeling (publication)

Bispecific antibodies

  • IEX: Good modeling practice for industrial chromatography - mechanistic modeling of ion exchange chromatography of a bispecific antibody (publication)

Adeno-associated viruses (AAVs)

  • AIEX: AAV Full/Empty Capsid Separation Using Mechanistic Modeling (article, procedure)


  • Mechanistic Modeling for a Hydrophobic-Interaction Chromatography Process: Use in Vaccine Antigen Purification (article)

Other resources

Hydrophobic interaction chromatography

  • In silico process characterization for biopharmaceutical development following the quality by design concept (publication)
  • Water on hydrophobic surfaces: Mechanistic modeling of hydrophobic interaction chromatography (publication)
  • An Experimental and Modeling Combined Approach in Preparative Hydrophobic Interaction Chromatography (publication)

Flow-through processes

  • Standardized method for mechanistic modeling of multimodal anion exchange chromatography in flow through operation (publication)

Derivation of isotherm and resin parameters

  • A versatile noninvasive method for adsorber quantification in batch and column chromatography based on the ionic capacity (publication)
  • Estimation of adsorption isotherm and mass transfer parameters in protein chromatography using artificial neural networks (publication)
  • UV absorption‐based inverse modeling of protein chromatography (publication)
  • Isotherm model discrimination for multimodal chromatography using mechanistic models derived from high-throughput batch isotherm data (publication)

Business impact

  • Do Modeling and Simulation Tools Really Benefit the Biosimilar Industry? (article)


  • High‐throughput micro‐scale cultivations and chromatography modeling: Powerful tools for integrated process development (publication)
  • Application of spectral deconvolution and inverse mechanistic modelling as a tool for root cause investigation in protein chromatography (publication)
  • Simulating and optimizing preparative protein chromatography with ChromX™ (predecessor of GoSilico™ chromatography modeling software) (publication)
  • A mechanistic model of ion-exchange chromatography on polymer fiber stationary phases (publication)
  • Model based process optimization of an industrial chromatographic process for separation of lactoferrin from bovine milk (publication)