Publications – BioExcel – Centre of Excellence for Computation Biomolecular Research

Below is a list of related publications by the partners of the BioExcel consortium. We strive to publish as Open Access, or to provide green open access preprints where gold open access is not possible. Please let us know if you are unable to access any of our publications.

These pages lists publication in reverse chronological order, see also the full list of pulications for citation information.

Figure 2: aforementioned local transmission clusters in Lithuania, Spain (Vilassar De Mar, province of Barcelona), France (see below), and Germany (state of Bavaria), amongst numerous others

Emergence and spread of SARS-CoV-2 lineage B.1.620 with variant of concern-like mutations and deletions

September 5, 2022September 5, 2022Stian Soiland-Reyes

Distinct SARS-CoV-2 lineages, discovered through various genomic surveillance initiatives, have emerged during the pandemic following unprecedented reductions in worldwide human mobility. We here [...]

Figure 2: Evaluated interfaces of the bacterial Arginine decarboxylate (T177/T1081). The two primary interfaces are within each decameric ring, the third interface lies between the two rings. Individual subunits illustrating the intra- and inter-decamer interfaces are colored.

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

August 30, 2022August 30, 2022Stian Soiland-Reyes

We present the results for CAPRI Round 50, the fourth joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of twelve [...]

The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows

August 30, 2022August 31, 2022Stian Soiland-Reyes

Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis [...]