MolClustPy: A Python Package to Characterize Multivalent Biomolecular Clusters

MolClustPy:用于表征多价生物分子簇的Python软件包

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Abstract

S UMMARY: Low-affinity interactions among multivalent biomolecules may lead to the formation of molecular complexes that undergo phase transitions to become extra-large clusters. Characterizing the physical properties of these clusters is important in recent biophysical research. Due to weak interactions such clusters are highly stochastic, demonstrating a wide range of sizes and compositions. We have developed a Python package to perform multiple stochastic simulation runs using NFsim (Network-Free stochastic simulator), characterize and visualize the distribution of cluster sizes, molecular composition, and bonds across molecular clusters and individual molecules of different types. A VAILABILITY AND IMPLEMENTATION: The software is implemented in Python. A detailed Jupyter notebook is provided to enable convenient running. Code, user guide and examples are freely available at https://molclustpy.github.io/. C ONTACT: achattaraj007@gmail.com , blinov@uchc.edu. S UPPLEMENTARY INFORMATION: Available at https://molclustpy.github.io/.

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