This is the Linux app named BioEmu whose latest release can be downloaded as 0.1.12sourcecode.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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SCREENSHOTS:
BioEmu
DESCRIPTION:
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures in backbone frame representation. To reconstruct the side-chains, several tools are available. As an example, we interface with HPacker to conduct side-chain reconstruction and also provide basic tooling for running a short molecular dynamics (MD) equilibration.
Features
- Side-chain reconstruction and MD-relaxation
- Third-party code
- Azure AI Foundry
- Reproduce results from the preprint
- Sampling structures
- BioEmu is provided as a Linux-only pip-installable package
Programming Language
Python
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/bioemu.mirror/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.