Jennifer LinApr 5, 2024
A short note (post) to self, but in case any others are also interested - "Using Molstar in Quarto" - embedding Mol* 3D viewer in Quarto docs - https://jhylin.github.io/Data_in_life_blog/posts/18_Notes_molstar_quarto/Molstar_quarto.html
#bioinformatics #cheminformatics #molstar #sbdd
Home - Using Molstar in Quarto

Kendra CSep 24, 2023
Four and out. Yep. Same old Bears different day. #SBDD #NFL #Bears #Chiefs #mastodonsports
pschmidtkeMay 26, 2023

New blog post on establishing a reference benchmark dataset for protein binding site comparison algorithms.

https://pschmidtke.github.io/blog/posts/post-with-code/2023-04-03-binding-site-comparison-benchmark-I/2023-04-03-binding-site-comparison-benchmark-i.html

#compchem #sbdd #pocket #bindingsite #crystallography #drugdesign #drugdiscovery

Spinning coral - Binding Site Comparison Benchmarks - I - Binding sites on the same protein

First post in a row on setting up a proper benchmark dataset for binding site comparison algorithm evaluation.

pschmidtkeApr 25, 2023

Migration of my blog to quarto is done & the blog is available again here:
https://pschmidtke.github.io/blog

Also took the time to recompile a new release of the COD in SD format, available here: https://zenodo.org/record/7860342#.ZEd8qexBxTZ

#compchem #sbdd #structuralbiology #crystallography #drugdiscovery

Spinning coral

pschmidtkeNov 21, 2022
Quick #introduction for me as well, as I'm new to the #fediverse.
I am Peter, currently active as scientific project manager in a French company called Discngine. Creator of fpocket & 3decision & researcher by heart, I'm mostly dad of two funny girls, living the southwest of France. You'll probably read mostly about #compchem #drugdiscovery, structural #bioinformatics, #sbdd & so on in my feed, whenever something comes up.
opentikaNov 4, 2022
Today, we continue from #LBDD results with #SBDD. Fortunately, some already took hints from protein structure in selecting molecules for molecular #docking. Unfortunately, 4h is not enough to introduce more methods.