Liquid-liquid phase separation (LLPS) plays a key role in cells by forming membrane-free organelles, but it also has many biotechnological and biomedical applications, such as drug restriction and targeted delivery. Field-theoretic simulations (FTS) via complex Langevin (CL) sampling is an alternative approach to both conventional molecular dynamics simulation and analytical theory to study LLPS of a polymer solution. With our continuous improvements in computer performance and extensive experience in theoretical and experimental studies, CD BioSciences offers field-based liquid-liquid phase separation theoretical simulation services to analyze LLPS of biomolecular condensates, which are widely used for approximate free simulation of molecular information models.

Our field-based liquid-liquid phase separation simulation method is a powerful tool for studying polymer structure and phase behavior. In contrast to particle-based simulation, this approach does not treat each biomolecule individually, but describes their collective behavior at the density field level. The model helps customers characterize LLPS systems at larger scales, enabling qualitative examination of more macroscopic properties and phenomena. CD BioSciences offers a customized process for field-based simulation of liquid-liquid phase separations.

(1) Obtain the appropriate free energy generalization function characterizing the key interactions.

(2) Determine the unit volume, system size and initialize the density distribution.

(3) Use dynamic equations for each component and perform numerical simulations of the dynamic evolution

(4) Obtain simulation results such as phase diagrams, density evolution, etc.

What attracts customers is that it is an efficient method for studying the phase behavior of biomolecular condensates, and is particularly applicable to condensates for bioengineering and biotechnology applications. This approach can overcome the computational limitations of traditional particle-based simulation methods, especially the challenge of sampling a large number of highly constrained coordinates.

Advantages of the Field-Based Theoretical Simulation Method

• The ability to correctly sample a large number of condensates in a saturated solution while analyzing the effect of compositional fluctuations on LLPS.
• Much more efficient than particle-based simulations.
• Suitable for large-scale, high-density polymer systems that require long simulation times.
• Allows to obtain chemical details of the potential and force fields in the model through the atomic scale.
• Statistical sampling and spatial discretization errors that can be easily controlled.
• Provides structural and thermodynamic predictions comparable to particle-based simulations of the same coarse-grained model, but at a low computational cost.

CD BioSciences is the ideal partner for your research in liquid-liquid phase separation biophysics. We will be happy to discuss the details of your interaction study, and develop an experimental approach based on your requirements. If you are interested in our services, please do not hesitate to contact us for more information.