Long-timescale dynamics of the Drew-Dickerson Dodecamer September 8, 2016May 5, 2017Mirren White Comment We are proud to announce the publication of this paper in the journal Nucleic Acids Research. Abstract We present a systematic study of [...]
Multiscale simulation of DNA September 6, 2016July 5, 2017Mirren White Comment Abstract DNA is not only among the most important molecules in life, but a meeting point for biology, physics and chemistry, being studied [...]
BioExcel: An Introduction July 25, 2016September 29, 2016Mirren White Comment December 2015 saw the start of BioExcel – a new EU-wide Centre of Excellence to support academia and industry in using high-performance and [...]
Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan May 31, 2016May 5, 2017Mirren White Comment Abstract The prediction of mutation-induced free-energy changes in protein thermostability or protein–protein binding is of particular interest in the fields of protein design, [...]
New Release: COMPSs 1.4 May 3, 2016June 8, 2016Mirren White Comment BioExcel is pleased to announce the release of Version 1.4 of COMPSs, one of the major workflows used within the centre. COMPSs is [...]
Gordon Research Conference: Theory and Simulation Across Scales in Molecular Science, July 24-29 March 31, 2016May 9, 2016Mirren White Comment BioExcel will present a talk as part of this conference to be held in Girona, Spain on July 24-29, 2016. Modesto Orozco from [...]