Academic User News

  • HemeLB: cardiovascular modelling and simulation in UKCOMES, 29-30 May 2019 - UKCOMES are hosting a meeting on “HemeLB: cardiovascular modelling and simulation in UKCOMES” centred around lattice Boltzmann simulations for blood flow. As part of the meeting, researchers at UCL will introduce and demonstrate the use of their HemeLB application and the progress they have made towards simulating the whole arterial tree. There will be talks…
  • 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.…
  • Prof Peter Coveney Appointed Professor at University of Amsterdam - Effective today, 1 March 2019, Prof Peter Coveney is professor by special appointment in the Informatics Institute at the University of Amsterdam (UvA). The chair, in Applied High Performance Computing, will run concurrently with his UCL appointment.
  • Summit Node Hour Allocation Awarded to UCL - The Centre for Computational Science at UCL has been awarded an allocation of 25,000 Summit node hours through 31 July 2019. This is the equivalent, to about 15 million core hours on Titan, the former number one in the Top 500 list of supercomputers, which we have been working on for over a year. The…
  • 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.…