Biomedicine, supercomputers and simulations: in silico experiments and its applications in cancer research
Computational simulations of cellular processes (e.g. metabolism, gene expression, signal transduction) are critical tools to formulate mechanistic explanations that facilitate the interpretation of experimental results. However, complex biological processes such as tumour evolution span across...
Scientific topics: Molecular interactions, pathways and networks, Personalised medicine, Simulation experiment
Operations: Modelling and simulation
Keywords: HPC, Biomodelling, cell simulations
Resource type: Webinar
Biomedicine, supercomputers and simulations: in silico experiments and its applications in cancer research
https://www.youtube.com/watch?v=x1zCn0-oeQQ
http://tess.elixir-uk.org/materials/biomedicine-supercomputers-and-simulations-in-silico-experiments-and-its-applications-in-cancer-research
Computational simulations of cellular processes (e.g. metabolism, gene expression, signal transduction) are critical tools to formulate mechanistic explanations that facilitate the interpretation of experimental results. However, complex biological processes such as tumour evolution span across different time-space scales. For instance, a population-level description is needed to account for genetic heterogeneity and phenotypic variability due to environmental noise, whereas intracellular models, such as cell signalling networks need to address the effect of mutated genes. In this context, multi-scale models are ideal tools to address systems biology questions as they can consider several time-space scales by combining different approaches into a hybrid simulation.
PhysiCell is an open-source, agent-based extensible multi-scale modelling framework that allows simulating complex multicellular systems such as healthy tissues and tumours.
Miguel Ponce de León
Molecular interactions, pathways and networks
Personalised medicine
Simulation experiment
HPC, Biomodelling, cell simulations
Anyone interested in simulation of metabolic models, and in PerMedCoE tools and activities
Tutorials on COBREXA
COBREXA.jl provides tutorials and notebooks with the purpose of explaining the most important concepts and functions for metabolic modelling and model handling to users, and then practicing them.
The documentation contains basic tutorials (explaining the core package concepts and basic design...
Scientific topics: Simulation experiment, Personalised medicine
Operations: Modelling and simulation
Keywords: cell-level simulations, Biomodelling, HPC
Resource type: Tutorial
Tutorials on COBREXA
https://lcsb-biocore.github.io/COBREXA.jl/stable/
http://tess.elixir-uk.org/materials/tutorials-on-cobrexa
COBREXA.jl provides tutorials and notebooks with the purpose of explaining the most important concepts and functions for metabolic modelling and model handling to users, and then practicing them.
The documentation contains basic tutorials (explaining the core package concepts and basic design ideas), advanced tutorials (describing complicated functionality required for optimised execution of large analyses) and Jupyter notebooks that demonstrate the concepts from tutorials in a more practical setting, with realistic data.
Miroslav Kratochvil
Laurent Heirendt
St Elmo Wilken
Simulation experiment
Personalised medicine
cell-level simulations, Biomodelling, HPC
Tutorial on CellNOpt
This tutorial aims to be an introduction to
i) the preparation of the Prior knowledge network (PKN) of signaling pathways and
ii) the training of the PKN against biochemical data to create cell-specific models.
Scientific topics: Molecular interactions, pathways and networks, Simulation experiment, Personalised medicine
Operations: Modelling and simulation
Keywords: HPC, Biomodelling, Signalling
Resource type: Tutorial
Tutorial on CellNOpt
https://saezlab.github.io/CellNOptR/2_usage/
http://tess.elixir-uk.org/materials/tutorial-on-cellnopt
This tutorial aims to be an introduction to
i) the preparation of the Prior knowledge network (PKN) of signaling pathways and
ii) the training of the PKN against biochemical data to create cell-specific models.
Bartosz Bartmanski
Molecular interactions, pathways and networks
Simulation experiment
Personalised medicine
HPC, Biomodelling, Signalling
Introduction to qualitative modelling with MaBoSS
Boolean modelling uses a simple representation of biological entities as either active or inactive, and describes their relations with logical formulas. MaBoSS extends Boolean modelling by adding a notion of continuous time, with the introduction of rates of (in)activation. This enable the...
Scientific topics: Statistics and probability, Molecular interactions, pathways and networks, Personalised medicine, Simulation experiment
Operations: Modelling and simulation
Keywords: HPC, Biomodelling, cell simulations, Boolean
Resource type: Webinar
Introduction to qualitative modelling with MaBoSS
https://www.youtube.com/watch?v=zvOZBFivpCc
http://tess.elixir-uk.org/materials/introduction-to-qualitative-modelling-with-maboss
Boolean modelling uses a simple representation of biological entities as either active or inactive, and describes their relations with logical formulas. MaBoSS extends Boolean modelling by adding a notion of continuous time, with the introduction of rates of (in)activation. This enable the representation of physical time, and of processes with different time scales. MaBoSS simulate multiple stochastic trajectories, and produces trajectories of the probabilities of the system state. This webinar will introduce the concepts of boolean modelling, and MaBoSS’ continuous time boolean modelling, and will then demonstrate the use of WebMaBoSS, a web interface designed for easily simulating MaBoSS models.
Vincent Noel
Statistics and probability
Molecular interactions, pathways and networks
Personalised medicine
Simulation experiment
HPC, Biomodelling, cell simulations, Boolean
Anyone interested in simulation of metabolic models, and in PerMedCoE tools and activities
Analysis of huge metabolic models with COBREXA.jl
COBREXA.jl is a new software package to enable the analysis and simulation of large metabolic models by taking advantages of modern HPC infrastructure. Mainly, it advanced the scalability of constraint-based method, using the Julia programing language and its mathematic ecosystem as a base...
Scientific topics: Simulation experiment
Keywords: cell-level simulations, HPC, Biomodelling
Resource type: Webinar
Analysis of huge metabolic models with COBREXA.jl
https://youtu.be/oIqXNC-0qzk
http://tess.elixir-uk.org/materials/analysis-of-huge-metabolic-models-with-cobrexa-jl
COBREXA.jl is a new software package to enable the analysis and simulation of large metabolic models by taking advantages of modern HPC infrastructure. Mainly, it advanced the scalability of constraint-based method, using the Julia programing language and its mathematic ecosystem as a base building block. We will talk about the problems that motivated the development of COBREXA.jl and show several of its main applications.
Miroslav Kratochvil
Simulation experiment
cell-level simulations, HPC, Biomodelling
Anyone interested in simulation of metabolic models, and in PerMedCoE tools and activities
Introduction to PerMedCoE: Exascale-ready cell-level simulations for European Personalised Medicine
PerMedCoE is the HPC/Exascale Centre of Excellence for Personalised Medicine in Europe. The goal of PerMedCoE is to provide an efficient and sustainable entry point to the HPC/Exascale-upgraded methodology to translate omics analyses into actionable models of cellular functions of medical relevance.
Scientific topics: Personalised medicine
Keywords: HPC, Biomodelling, cell-level simulations
Resource type: Webinar
Introduction to PerMedCoE: Exascale-ready cell-level simulations for European Personalised Medicine
https://www.youtube.com/watch?v=iX15QvM7fVw
http://tess.elixir-uk.org/materials/introduction-to-permedcoe-exascale-ready-cell-level-simulations-for-european-personalised-medicine
PerMedCoE is the HPC/Exascale Centre of Excellence for Personalised Medicine in Europe. The goal of PerMedCoE is to provide an efficient and sustainable entry point to the HPC/Exascale-upgraded methodology to translate omics analyses into actionable models of cellular functions of medical relevance.
Alfonso Valencia
Personalised medicine
HPC, Biomodelling, cell-level simulations
Anyone interested in simulation of metabolic models, and in PerMedCoE tools and activities
BioSimulations tutorial and help
BioSimulations is a web application for sharing and re-using biomodels, simulations, and visualizations of simulations results. BioSimulations supports a wide range of modeling frameworks (e.g., kinetic, constraint-based, and logical modeling), model formats (e.g., BNGL, CellML, SBML), and...
Scientific topics: Simulation experiment, Systems biology, Computational biology
Operations: Modelling and simulation, Visualisation
Keywords: SystemsBiology, ComputationalBiology, Computational modelling, Modeling, Biomodelling, Model, Kinetic modeling, SED-ML, COMBINE
Resource type: Documentation
BioSimulations tutorial and help
https://www.biosimulations.org/about/help
http://tess.elixir-uk.org/materials/biosimulations-help
BioSimulations is a web application for sharing and re-using biomodels, simulations, and visualizations of simulations results. BioSimulations supports a wide range of modeling frameworks (e.g., kinetic, constraint-based, and logical modeling), model formats (e.g., BNGL, CellML, SBML), and simulation tools (e.g., COPASI, libRoadRunner/tellurium, NFSim, VCell). BioSimulations aims to help researchers discover published models that might be useful for their research and quickly try them via a simple web-based interface.
Jonathan Karr
Bilal Shaikh
Simulation experiment
Systems biology
Computational biology
SystemsBiology, ComputationalBiology, Computational modelling, Modeling, Biomodelling, Model, Kinetic modeling, SED-ML, COMBINE
Life Science Researchers
Computational biologists
modelers
Constraint-based reconstruction and analysis toolbox tutorials
A suite of >50 tutorials to enable beginners, as well as intermediate and advanced users to practice a wide variety of COBRA methods.
Keywords: Biomodelling
Resource type: Tutorial
Constraint-based reconstruction and analysis toolbox tutorials
https://opencobra.github.io/cobratoolbox/stable/tutorials/index.html
http://tess.elixir-uk.org/materials/constraint-based-reconstruction-and-analysis-toolbox-tutorials
A suite of >50 tutorials to enable beginners, as well as intermediate and advanced users to practice a wide variety of COBRA methods.
COBRA Toolbox development team
Biomodelling
Biologists, Genomicists, Computer Scientists