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1. BioModME for building and simulating dynamic computational models of complex biological systems

   https://doi.org/10.1093/bioadv/vbae023  

   Womack, Justin A.; Shah, Viren; Audi, Said H.; Terhune, Scott S.; Dash, Ranjan K.; Lengauer, ed., Thomas (February 2024, Bioinformatics Advances)

   Abstract SummaryMolecular mechanisms of biological functions and disease processes are exceptionally complex, and our ability to interrogate and understand relationships is becoming increasingly dependent on the use of computational modeling. We have developed “BioModME,” a standalone R-based web application package, providing an intuitive and comprehensive graphical user interface to help investigators build, solve, visualize, and analyze computational models of complex biological systems. Some important features of the application package include multi-region system modeling, custom reaction rate laws and equations, unit conversion, model parameter estimation utilizing experimental data, and import and export of model information in the Systems Biology Matkup Language format. The users can also export models to MATLAB, R, and Python languages and the equations to LaTeX and Mathematical Markup Language formats. Other important features include an online model development platform, multi-modality visualization tool, and efficient numerical solvers for differential-algebraic equations and optimization. Availability and implementationAll relevant software information including documentation and tutorials can be found at https://mcw.marquette.edu/biomedical-engineering/computational-systems-biology-lab/biomodme.php. Deployed software can be accessed at https://biomodme.ctsi.mcw.edu/. Source code is freely available for download at https://github.com/MCWComputationalBiologyLab/BioModME. 

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2. DynamoVis 1.0: an exploratory data visualization software for mapping movement in relation to internal and external factors

   https://doi.org/10.1186/s40462-021-00291-5  

   Dodge, Somayeh; Toka, Mert; Bae, Crystal J. (November 2021, Movement Ecology)

   Abstract BackgroundThis paper introduces DynamoVis version 1.0, an open-source software developed to design, record and export custom animations and multivariate visualizations from movement data, enabling visual exploration and communication of patterns capturing the associations between animals’ movement and its affecting internal and external factors. Proper representation of these dependencies grounded on cartographic principles and intuitive visual forms can facilitate scientific discovery, decision-making, collaborations, and foster understanding of movement. ResultsDynamoVis offers a visualization platform that is accessible and easily usable for scientists and general public without a need for prior experience with data visualization or programming. The intuitive design focuses on a simple interface to apply cartographic techniques, giving ecologists of all backgrounds the power to visualize and communicate complex movement patterns. ConclusionsDynamoVis 1.0 offers a flexible platform to quickly and easily visualize and animate animal tracks to uncover hidden patterns captured in the data, and explore the effects of internal and external factors on their movement path choices and motion capacities. Hence, DynamoVis can be used as a powerful communicative and hypothesis generation tool for scientific discovery and decision-making through visual reasoning. The visual products can be used as a research and pedagogical tool in movement ecology. 

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3. Charting a New Frontier Integrating Mathematical Modeling in Complex Biological Systems from Molecules to Ecosystems

   https://doi.org/10.1093/icb/icab165  

   White, Katharine A; McEntire, Kira D; Buan, Nicole R; Robinson, Lecia; Barbar, Elisar (July 2021, Integrative and Comparative Biology)

   Abstract Advances in quantitative biology data collection and analysis across scales (molecular, cellular, organismal, and ecological) have transformed how we understand, categorize, and predict complex biological systems. This surge of quantitative data creates an opportunity to apply, develop, and evaluate mathematical models of biological systems and explore novel methods of analysis. Simultaneously, thanks to increased computational power, mathematicians, engineers and physical scientists have developed sophisticated models of biological systems at different scales. Novel modeling schemes can offer deeper understanding of principles in biology, but there is still a disconnect between modeling and experimental biology that limits our ability to fully realize the integration of mathematical modeling and biology. In this work, we explore the urgent need to expand the use of existing mathematical models across biological scales, develop models that are robust to biological heterogeneity, harness feedback loops within the iterative modeling process, and nurture a cultural shift towards interdisciplinary and cross-field interactions. Better integration of biological experimentation and robust mathematical modeling will transform our ability to understand and predict complex biological systems. 

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4. Preparing the Next Generation of Integrative Organismal Biologists

   https://doi.org/10.1093/icb/icae098  

   Padilla, Dianna_K; Grünbaum, Daniel (July 2024, Integrative And Comparative Biology)

   Synopsis Pursuing cutting edge questions in organismal biology in the future will require novel approaches for training the next generation of organismal biologists, including knowledge and use of systems-type modeling combined with integrative organismal biology. We link agendas recommending changes in science education and practice across three levels: Broadening the concept of organismal biology to promote modeling organisms as systems interacting with higher and lower organizational levels; enhancing undergraduate science education to improve applications of quantitative reasoning and modeling in the scientific process; and K-12 curricula based on Next Generation Science Standards emphasizing development and use of models in the context of explanatory science, solution design, and evaluating and communicating information. Out of each of these initiatives emerges an emphasis on routine use of models as tools for hypothesis testing and prediction. The question remains, however, what is the best approach for training the next generation of organismal biology students to facilitate their understanding and use of models? We address this question by proposing new ways of teaching and learning, including the development of interactive web-based modeling modules that lower barriers for scientists approaching this new way of imagining and conducting integrative organismal biology. 

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5. Vivarium: an interface and engine for integrative multiscale modeling in computational biology

   https://doi.org/10.1093/bioinformatics/btac049  

   Agmon, Eran; Spangler, Ryan K.; Skalnik, Christopher J.; Poole, William; Peirce, Shayn M.; Morrison, Jerry H.; Covert, Markus W.; Valencia, ed., Alfonso (February 2022, Bioinformatics)

   Abstract MotivationThis article introduces Vivarium—software born of the idea that it should be as easy as possible for computational biologists to define any imaginable mechanistic model, combine it with existing models and execute them together as an integrated multiscale model. Integrative multiscale modeling confronts the complexity of biology by combining heterogeneous datasets and diverse modeling strategies into unified representations. These integrated models are then run to simulate how the hypothesized mechanisms operate as a whole. But building such models has been a labor-intensive process that requires many contributors, and they are still primarily developed on a case-by-case basis with each project starting anew. New software tools that streamline the integrative modeling effort and facilitate collaboration are therefore essential for future computational biologists. ResultsVivarium is a software tool for building integrative multiscale models. It provides an interface that makes individual models into modules that can be wired together in large composite models, parallelized across multiple CPUs and run with Vivarium’s discrete-event simulation engine. Vivarium’s utility is demonstrated by building composite models that combine several modeling frameworks: agent-based models, ordinary differential equations, stochastic reaction systems, constraint-based models, solid-body physics and spatial diffusion. This demonstrates just the beginning of what is possible—Vivarium will be able to support future efforts that integrate many more types of models and at many more biological scales. Availability and implementationThe specific models, simulation pipelines and notebooks developed for this article are all available at the vivarium-notebooks repository: https://github.com/vivarium-collective/vivarium-notebooks. Vivarium-core is available at https://github.com/vivarium-collective/vivarium-core, and has been released on Python Package Index. The Vivarium Collective (https://vivarium-collective.github.io) is a repository of freely available Vivarium processes and composites, including the processes used in Section 3. Supplementary Materials provide with an extensive methodology section, with several code listings that demonstrate the basic interfaces. Supplementary informationSupplementary data are available at Bioinformatics online. 

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