Issue 42 | November 2021
BioExcel NEWSLETTER
Dear reader,

We are excited to announce that applications are now open for the virtual BioExcel School on Biomolecular Simulations, 25 March - 1 April 2022. The school is intended for primarily PhD and post-docs using biomolecular modelling and simulation, designed with flexibility for time zones differences and childcare requirements.

Michelle Mendonca
Digital Strategy Officer
BioExcel School on Biomolecular Simulations, 25 March - 1 April

BioExcel School on Biomolecular Simulations

The BioExcel school will include sessions on molecular dynamics simulations, biomolecular docking, free energy calculations and more. Through hands-on practicals, participants will train on BioExcel tools such as GROMACS, HADDOCK, PMX and CP2K. Applications close on 9 January.
DNA/RNA structures

Webinar: X3DNA-DSSR, a resource for structural bioinformatics of nucleic acids

Register for the webinar on 9 December on how to integrate DSSR (Dissecting the Spatial Structure of RNA), a versatile computational tool in your research pipelines.
HADDOCK -High ambiguity  driven docking

HADDOCK 2.4 shape-restrained protein-small molecule tutorial

Learn how to use HADDOCK for the modelling of protein-small molecule complexes through this new tutorial.
ARCHER 2 supercomputing centre

Introducing the ARCHER2 full system

This blog post introduces the full system, capabilities and additional developments to look forward to in the future.
Notably, wild-type and ΔRBS variants of H1N1 haemagglutinin in fact show a remarkably similar overall binding pattern

Cryptic pathogen-sugar interactions revealed by universal saturation transfer analysis

This paper presents universal saturation transfer analysis (uSTA), an NMR method that builds on existing approaches to provide a general and automated workflow for studying protein-ligand interactions.

Watch: MDAnalysis, interoperable analysis of biomolecular simulations in Python

Youtube thumbnail of BioExcel Webinar #55: MDAnalysis, interoperable analysis of biomolecular simulations in Python
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