Insider recommendations for getting started with mechanistic modeling of chromatography

Gunnar Malmquist and Nick Whitelock talk about best practices for implementing mechanistic modeling of chromatography in process development work.

Engage a mechanistic modeling expert – or become one

The application of mechanistic modeling requires expertise for effective use. When planning to implement this ground-breaking technology one essential question must be addressed beforehand: when is it most appropriate to build this expertise in-house, or when to contract in established experts?

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Good modeling practices (GMoP)

Before getting started with mechanistic chromatography modeling, read some basic principles of GMoP to ensure high chromatography model quality. From setting the scope, to model selection, calibration and validation.

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Lab scientists working with GoSIlico Chromatography Modeling Software

Case studies and publications for different biomolecules

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)
Bispecific antibodies	IEX: Good modeling practice for industrial chromatography - mechanistic modeling of ion exchange chromatography of a bispecific antibody (publication)
Other proteins	Estimation of adsorption isotherm and mass transfer parameters in protein chromatography using artificial neural networks (publication) Water on hydrophobic surfaces: Mechanistic modeling of hydrophobic interaction chromatography (publication) A versatile noninvasive method for adsorber quantification in batch and column chromatography based on the ionic capacity (publication) High‐throughput micro‐scale cultivations and chromatography modeling: Powerful tools for integrated process development (publication) A mechanistic model of ion-exchange chromatography on polymer fiber stationary phases (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™ (publication) UV absorption‐based inverse modeling of protein chromatography (publication)