Theoretical Modeling Services for Liquid-Liquid Phase Separation
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Theoretical Modeling Services for Liquid-Liquid Phase Separation

Liquid-liquid phase separations (LLPS) are ubiquitous in cells, forming membrane-free organelles and dynamic condensates essential for physiological processes. Current experimental findings increasingly demonstrate the important role LLPS play in different cellular functions, ranging from the spatiotemporal organization of cellular materials to the regulation of biochemical reactions. However, given the disordered nature of such assemblies, some potential mechanisms remain difficult to determine experimentally. Therefore, theoretical and computational approaches are needed to help unravel the biophysical phenomena of biomolecular condensates. We provide computational methods to analyze the binodals and interfacial tensions of phase-separated condensates. Here, we focus on different theoretical modeling scales for different systems and methods to analyze biophysical phenomena of condensates by providing comprehensive physical pictures.

Fig. 1. Physical picture of multiscale modeling methods and their applications.Fig. 1. Physical picture of multiscale modeling methods and their applications. (Lin-ge L, et al., 2022)

Customized Services

Based on our strong expertise in liquid-liquid phase separation biophysics, CD BioSciences offers customized protocols to characterize the phase behavior of biomolecular condensates and to depict LLPS phase boundaries. The protocols address a comprehensive physical picture regarding the selection of the appropriate theoretical approach, and how to interpret and resolve from the results.

  • Selecting The Right Theoretical Approach
    Depending on the accuracy and scale required for your project, we offer a choice of particle-based methods or field-based methods.
  • Perform Particle-Based Theoretical Simulation
    We provide particle-based theoretical simulation services for liquid-liquid phase separations by applying different coarse-grained levels to reproduce experiments and obtain various statistical properties.
  • Perform Field-Based Theoretical Simulation
    We offer field-based liquid-liquid phase separation theoretical simulation methods to analyze LLPS of biomolecular condensates, which are widely used for approximate free simulation of molecular information models and are much more efficient than  particle-based simulations.

Our given protocol contains the theoretical approach to LLPS, and provides qualitative results for various experiments. Simulation methods following the protocol can be used to reproduce, understand and eventually predict the effects of mutations, post-translational modifications (PTM), temperature changes and other variables in biomolecular condensates. Our team of experts is working hard to find quantitatively accurate models to help clients derive parameters from experimental benchmark results or match results from a variety of characterization outcomes.

Why Choose Us

  • Provide information for your experimental LLPS studies.
  • Have proven and efficient theoretical modeling methods.
  • Access to larger scale parameters.
  • Capture the inter-residue interaction potential.
  • Provide structural characterization of individual protein conformations.

CD BioSciences is committed to theoretically solving the mystery of phase separation of biomolecular condensates. We offer different modeling scales from particle-based to field-based as well as global physical maps. Our theoretical modeling will play an increasingly important role and a wide range of applications, along with the ability to understand the physics behind intracellular phase separation. If you have any special requirements for our services, please feel free to contact us. We are looking forward to working together with your attractive projects.

Reference

  1. Lin-ge L, Zhonghuai H. (2022) Theoretical modelling of liquid-liquid phase separation: from particle-based to field-based simulation[J]. Biophysics Reports. 8(2): 55-67.
For research use only, not intended for any clinical use.
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CD BioSciences is a company conducting biomolecular condensates targeted innovative drugs. We integrate the latest advances in physics, chemistry, biology, and machine learning to address some of the most fundamental challenges in health and disease today.

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