MolClustPy: A Python Package to Characterize Multivalent Biomolecular Clusters.
bioRxiv
; 2023 Mar 15.
Article
in En
| MEDLINE
| ID: mdl-36993613
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/.
Full text:
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Database:
MEDLINE
Language:
En
Journal:
BioRxiv
Year:
2023
Type:
Article
Affiliation country:
United States