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COBY
Creating Coarse-Grained Systems with COBY: Toward Higher Accuracy of Complex Biological Systems.
ID:133164Uploader:AI Agent
2025.12.03
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Abstract
Current trends in molecular modeling are geared toward increasingly realistic representations of the biological environments reflected in larger, more complex systems. The complexity of the system-building procedure is ideally handled by software that converts user-provided descriptors into system coordinates. This, however, is not a trivial task, as building algorithms use simplifications that result in inaccuracies in the system properties. We created COBY, a coarse-grained system builder that can create a large variety of systems in a single command call with an improved accuracy of the complex membrane and solvent building procedures. COBY also contains features for building diverse systems in a single step, and has functionalities aiding force field development. COBY is an open-source software written in Python 3, and the code, documentation, and tutorials are hosted at https://github.com/MikkelDA/COBY.
Publication
PMID:40354253
Creating Coarse-Grained Systems with COBY: Toward Higher Accuracy of Complex Biological Systems
Mikkel D. Andreasen,Paulo C. T. Souza,Birgit Schiøtt,Lorena ZuzicJournal of Chemical Information and Modeling. 2025
Cited by 3 articles
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TS2CG as a Membrane Builder
Fabian Schuhmann, Jan A. Stevens, Neda Rahmani, Isabell Lindahl, Chelsea M. Brown, Christopher Brasnett, Dimitrios Anastasiou, Adrià Bravo Vidal, Beatrice Geiger, Siewert J. Marrink, Weria Pezeshkian Journal of Chemical Theory and Computation. 2025
Cmem Builder: An Automated Tool for Curved Membrane Construction in Molecular Dynamics Simulations
Jiabin Guo, Kin Lei, Jixing Liu, Henry HY Tong, Yun Lyna Luo, Wei Han, Shu Li Journal of Chemical Theory and Computation. 2025
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Tag
Molecular modelling
Structural Biology
Protein structure prediction
Systems Biology & Omics
Molecular dynamics
Nucleic acid structure analysis
Protein structure analysis
Sequence analysis
Genomics
Proteomics
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