Category Archives: News

Recruiting for a Research Fellow in Biomedical Molecular Dynamics for Drug Discovery and Personalised Medicine

Applications are invited for a Research Fellow to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active inter­disciplinary group in the Centre for Computational Science, working on projects in fields ranging from condensed matter physics and chemistry to life sciences and medicine.…

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…

17th PRACE Call for Project Access

There is a new batch of HPC resources available for our Centre of Excellence, as part of the reserve that PRACE has been applying to all the CoEs since the 12th Call for Project Access. This reserve is linked to the 17th PRACE Call for Project Access. Until 31 March 2019, the following allocations are…