Category Archives: Industrial Users

Postdoctoral position available at University of Sheffield for CompBioMed2

Are you interested in developing research software and facilitating reproducible research through collaborations across the whole spectrum of University research areas? We are looking for a new member of the growing Research Software Engineering (RSE) team, who ideally has a keen interest in HPC and cloud computing. The candidate will be highly passionate about developing…

Central Incubator Registry

Compbiomed has complied this Central Incubator Registry which lists EU innovation incubators and accelerators. This Register arose from a task designed to support the exploitation of results of commercial potential, and we act as a focal point for connecting parties where this exploitation might benefit from support for commercialisation activities. This Register is freely available…

CompBioMed paper published on Ensemble-Based Replica Exchange Alchemical Free Energy Methods

Ensemble-Based Replica Exchange Alchemical Free Energy Methods: The Effect of Protein Mutations on Inhibitor Binding Agastya P. Bhati, Shunzhou Wan, and Peter V. Coveney Journal of Chemical Theory and Computation (2018) DOI: 10.1021/acs.jctc.8b01118 Mutations enable proteins to tailor molecular recognition with small-molecule ligands and other macromolecules, and can have a major impact on drug efficacy.…

CompBioMed Joins eInfraCentral

eInfraCentral is a Coordination and Support Action funded under the EU’s Horizon 2020 framework programme. Its mission is to ensure that by 2020 a broader and more varied set of users benefits from European e-Infrastructures. The project answers researchers’ and service providers’ need for a catalogue and platform where all can browse, search, compare and…

ELEM Biotech starts business

BSC’s spinoff company ELEM Biotech is born to commercialize on a Cloud-Deployed Software-as-a-Service basis the use of the HPC-based simulation code Alya for biomedical research. ELEM will become a Virtual Humans Factory, where in-silico trials can be performed thanks to a specifically designed user interface. Although ELEM’s first target will be the cardiovascular and respiratory…

CompBioMed research wins the 11th IEEE International Scalable Computing Challenge

Our work executing and managing large and complex campaigns of ligand binding simulations (using our domain specific middleware, HTBAC) has won the 11th IEEE International Scalable Computing Challenge (SCALE 2018) at the IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing (CCGrid) 2018 held in Washington DC. The prize rewards real-world problem solving using computing…

PolNet software released under General License

A recent paper published through a collaboration of our coordinator, UCL, with our Associate Partner at the Centre for Medical Informatics at the University of Edinburgh, outlines the use and release of the PolNet software tool. https://doi.org/10.1016/j.bpj.2018.03.032 PolNet is a software tool for the computer simulation of blood flow in realistic microvascular networks imaged with…