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We Theoretical & Computational Biophysics Department @mpi_bpc are looking for people interested in contributing to #MD_simulations based projects! Applications and RT welcome! 🙂#TheoBiophysicsPosition #compchem #postdocjobs #PhDposition 👉t1p.de/3793 🔗mpibpc.mpg.de/grubmueller

A tuto of our shape-restrained small molecule/protein docking protocols is available online! Use and Share it 🥳 bonvinlab.org/education/HADD…

A full professor position in AI and Data Science for Biology open at the Laboratory of Computational and Quantitative Biology (#LCQB_UMR7238) Sorbonne Université CNRS 🌍 see add lcqb.upmc.fr/content/full-p…

I am very honored to be part of the DeepRank adventure. We have been exploring PPIs from a Deep-learning spectra, and this little baby is the first of a long series✨ CSB-Nijmegen Alexandre Bonvin - also on Bluesky Netherlands eScience Center @akademienl.social nature.com/articles/s4146…

Poste MCF Section 31 disponible dès la rentrée dans le groupe CTOM à Marseille. chimie-theorique.cnrs.fr/spip.php?artic…

ArXiv arxiv.org/abs/2112.03041: LSTMs with SMILES and SELFIES perform better at generating complex molecules than graph generative models. Confirming our own results.

ArXiv arxiv.org/abs/2112.03383: Graph Neural Networks to accelerated molecular dynamics by force prediction. Atom-wise message passing.

And there is more coming! From 3D grid to 2D graph representation of interactions Manon Réau CSB-Nijmegen Nicolas Renaud - biorxiv.org/content/10.110…

🧵When we published our modeling analysis of the Wuhan RBD bound to ACE2 of multiple animal species, a distinguishing feature between susceptible (e.g. humans) and non-susceptible species (e.g. 🐁) was the salt-bridge between ACE2 resi 30 and RBD K417. bit.ly/3IU9gjM

For GPCRs' lovers, the Filizolalab is still recruiting (NYC) ✨

Our lastest work on protein surficial similarity! By Léa Sirugue, Nathalie Lagarde and Matthieu Montes from M2D2 team Le Cnam !

Protein Data Bank molecule of the month : nicotinic acetylcholine receptor (6pv7) rendered with the real-time engine of VTX new release incoming!

Qubit, la start-up qui veut découvrir des médicaments grâce à la physique quantique (via Le Monde) #compchem #HPC #supercomputing #QuantumComputing lemonde.fr/economie/artic…

5 POSTDOC FELLOWSHIPS IN GENETICS and RNA – COFUND FP-DYNAMO-PARIS CNRS - FR550 Institut de Biologie Physico-Chimique (Institut de Biologie Physico-Chimique (IBPC) Paris), Paris, France jobrxiv.org/job/cnrs-fr550… #ScienceJobs

Freshly out (was already on BioRxiv): DeepRank-GNN: A Graph Neural Network Framework to Learn Patterns in Protein-Protein Interfaces - work from Manon Réau with the Netherlands eScience Center @akademienl.social - academic.oup.com/bioinformatics…