BioSimSpace is designed to make it easier to write robust and interoperable workflow nodes. These can be run either from the command line or from within many different workflow engines (e.g. Knime). The tutorials and developer guides show you know to write these nodes. Here, we curate a list of BioSimSpace nodes that you can download and use
Research Software Engineer on the BioSimSpace project. Lester develops most of the foundation software for BioSimSpace.
Researcher on the BioSimSpace project. Toni brings a wealth of experience in free energy methods and applications to help develop the library of workflow nodes supplied with BioSimSpace.
Francesco Luigi Gervasio is Professor of Chemistry and Structural and Molecular Biology. Prof. Gervasio’s research focuses on the development of computational methods to study molecular recognition and large-scale conformational changes in bio-molecules.