Issue 40 | September 2021
Dear reader,

Next month we bring you the latest webinar on MDAnalysis with Lily Wang, Irfan Alibay, and Oliver Beckstein, who will discuss future directions for expanding the MDAnalysis ecosystem. They will also focus on improved performance, interoperability, and enabling the development of downstream toolkits.

We sat down with Marta Lloret Llinares from EMBL-EBI to hear about her experience moving from post-doctoral research to project management.

Michelle Mendonca
Digital Strategy Officer
MDAnalysis; interoperable analysis of biomolecular simulations in Python, 12 October at 16:00 CEST

Webinar: MDAnalysis - interoperable analysis of biomolecular simulations in Python

Register for our webinar on MDAnalysis where the speakers will showcase popular core features and new developments in the recent 2.0 release, such as converters for the RDKit and OpenMM libraries, and workflows for parallel analysis.
GROMACS. Fast, flexible, free

GROMACS adopts hipSYCL for future AMD GPU support

This article talks about the motivations of the GROMACS development team in reaching its decision in the hope that other research codes find it useful to learn from their experiences.
From Researcher to Manager featuring woman with brown hair and light blue shirt

From Researcher to Manager: A Conversation with Marta Lloret Llinares

Marta Lloret Llinares describes her experience as a Scientific Project Manager at EMBL-EBI and skills to focus on building to venture into this field.
How to interpret Alphafold structures

How to interpret AlphaFold structures

In case you missed it, you can catch the webinar on the overview for the AlphaFold method and statistics that can be used to understand the reliability of the models.
Max Planck Gesellschaft

PhD and Postdoc positions available

The Max Planck Institutes for Biophysical Chemistry and Experimental Medicine invite applications to contribute to molecular dynamic simulations projects.
ENCCS (EuroCC National Competence Center Sweden),CUDA

Training: CUDA workshop, 7- 8 October

Registrations are open for the free training workshop on GPU programming with CUDA programming organised by EuroCC Sweden.
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