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MolClustPy: A Python Package to Characterize Multivalent Biomolecular Clusters.
Chattaraj, Aniruddha; Nalagandla, Indivar; Loew, Leslie M; Blinov, Michael L.
Affiliation
  • Chattaraj A; R. D. Berlin Center for Cell Analysis and Modeling, University of Connecticut School of Medicine, Farmington, CT 06030, USA.
  • Nalagandla I; R. D. Berlin Center for Cell Analysis and Modeling, University of Connecticut School of Medicine, Farmington, CT 06030, USA.
  • Loew LM; R. D. Berlin Center for Cell Analysis and Modeling, University of Connecticut School of Medicine, Farmington, CT 06030, USA.
  • Blinov ML; R. D. Berlin Center for Cell Analysis and Modeling, University of Connecticut School of Medicine, Farmington, CT 06030, USA.
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: 1 Database: MEDLINE Language: En Journal: BioRxiv Year: 2023 Type: Article Affiliation country: United States

Full text: 1 Database: MEDLINE Language: En Journal: BioRxiv Year: 2023 Type: Article Affiliation country: United States