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Jana Shen Lab

@janashenlab.bsky.social

10 followers 13 following 2 posts

Covalent drug discovery; structure-function and structure-activity relationships; pH-responsive materials

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Reposted by Jana Shen Lab

Stand Up for Science! @standupforscience.net · 12/02/2025

Welcome to the Bluesky account for Stand Up for Science 2025! Keep an eye on this space for updates, event information, and ways to get involved. We can't wait to see everyone #standupforscience2025 on March 7th, both in DC and locations nationwide! #scienceforall #sciencenotsilence

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Jana Shen Lab @janashenlab.bsky.social · 15/02/2025

Breaking from JCC: GROMACS reaches a new height in #HPC scalability! @mpibp.bsky.social @mpi-nat.bsky.social onlinelibrary.wiley.com/doi/full/10....

onlinelibrary.wiley.com

Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster

We benchmarked the performance of the GROMACS 2024 molecular dynamics (MD) code on a modern high-performance computing (HPC) cluster with AMD CPUs on up to 65,536 CPU cores with input systems ranging...

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Jana Shen Lab @janashenlab.bsky.social · 20/01/2025

Interested in allostery? BRAF is a poster child! elifesciences.org/reviewed-pre...

elifesciences.org

Mechanism of Dimer Selectivity and Binding Cooperativity of BRAF Inhibitors

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