Jana Shen Lab
@janashenlab.bsky.social
Covalent drug discovery; structure-function and structure-activity relationships; pH-responsive materials
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
Breaking from JCC: GROMACS reaches a new height in #HPC scalability! @mpibp.bsky.social @mpi-nat.bsky.social onlinelibrary.wiley.com/doi/full/10....
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...
onlinelibrary.wiley.com
Interested in allostery? BRAF is a poster child! elifesciences.org/reviewed-pre...
Mechanism of Dimer Selectivity and Binding Cooperativity of BRAF Inhibitors
elifesciences.org