Long-timescale dynamics of the Drew-Dickerson Dodecamer
We are proud to announce the publication of this paper in the journal Nucleic Acids Research. Abstract We present a systematic study of
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AuthorMirren White
Multiscale simulation of DNA
Abstract DNA is not only among the most important molecules in life, but a meeting point for biology, physics and chemistry, being studied
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BioExcel: An Introduction
December 2015 saw the start of BioExcel – a new EU-wide Centre of Excellence to support academia and industry in using high-performance and
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Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan
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,
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New Release: COMPSs 1.4
BioExcel is pleased to announce the release of Version 1.4 of COMPSs, one of the major workflows used within the centre. COMPSs is
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Gordon Research Conference: Theory and Simulation Across Scales in Molecular Science, July 24-29
BioExcel will present a talk as part of this conference to be held in Girona, Spain on July 24-29, 2016. Modesto Orozco from
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