3DSpineMFE
A MATLAB® toolbox that given a three-dimensional spine reconstruction computes a set of characteristic morphological measures that unequivocally determine the spine shape.
Modelling and simulation
SSB Toolkit
Toolkit for mathematical simulations of signal-transduction pathway models of G-protein coupled receptors.
The SSB Toolkit is a Python library specifically designed for conducting simulations of mathematical models that represent the signal-transduction pathways of G-protein coupled receptors (GPCRs). This library consists of a set of systems biology simulation routines, enabling the investigation of pharmacodynamic models associated with GPCRs. It provides a means to explore how the structural characteristics of these receptors influence subcellular signaling dynamics.
Other software
All softwareArbor
Arbor is a high-performance library for computational neuroscience simulations with multi-compartment, morphologically-detailed cells, from single cell models to very large networks. Arbor is written from the ground up with many-cpu and gpu architectures in mind, to help neuroscientists effectively use contemporary and future HPC systems to meet their simulation needs. Arbor supports NVIDIA and AMD GPUs as well as explicit vectorization on CPUs from Intel (AVX, AVX2 and AVX512) and ARM (Neon and SVE). When coupled with low memory overheads, this makes Arbor an order of magnitude faster than the most widely-used comparable simulation software. Arbor is open source and openly developed, and we use development practices such as unit testing, continuous integration, and validation.
Modelling and simulationCellular level simulation
ArDock
ArDock employs the arbitrary docking method to reveal potential interaction sites on the surface of a protein by computationally docking a set of random protein “probes”. The random probes interact in a non-random manner on protein surfaces, and the targeted regions are enriched in biological interfaces. Docking is performed on input protein structures using the Hex software. The ArDock webserver performs the docking calculations and provides tools for the combined analysis of protein structures and sequences and for the visualization of the results to identify interaction sites.
Molecular and subcellular simulation