Episomal stable pools in WAVE bioreactors for fast and robust protein production Recombinant proteins are important resources in several stages of drug discovery as well as many other types of research. The amounts of pure protein required span from a few micrograms for immunisations to hundreds of milligrams or even grams for activity evaluations and structure determinations. Here a highly scalable process for protein production in CHO cells that generates robust product quality and high performance throughout scales is presented.
https://www.proteinatlas.org/n....ews/2024-06-12/episo

My take on the Collaborations Workshop (CW) 2024 At the end of April, I attended the CW 2024. This yearly hybrid event organised by the Software Sustainability Institute (SSI) has been running since 2011! The event brings people together to discuss best practices and the future of software in research. This year’s event themes were (1) AI/ML tools for Science, (2) Citizen Science […]
https://www.blopig.com/blog/20....24/06/my-take-on-the

Organise Your ML Projects With Hydra One of the most annoying parts of ML research is keeping track of all the various different experiments you’re running – quickly changing and keeping track of changes to your model, data or hyper-parameters can turn into an organisational nightmare. I’m normally a fan of avoiding too many different libraries/frameworks as they often break down […]
https://www.blopig.com/blog/20....24/06/organise-your-

Fine-tune generated molecular poses with a force field Some molecular pose generation methods benefit from an energy relaxation post-processing step. Here is a quick way to do this using OpenMM via a short script I prepared: 1. Get script 2. Setup environment 3. Run minimizationThis example takes ~2 minutes to run on a desktop computer. Depending on the system’s complexity, runs may take […]
https://www.blopig.com/blog/20....24/06/fine-tune-gene

Comparing pose and affinity prediction methods for follow-up designs from fragments In any task in the realm of virtual screening, there need to be many filters applied to a dataset of ligands to downselect the ‘best’ ones on a number of parameters to produce a manageable size. One popular filter is if a compound has a physical pose and good affinity as predicted by tools such […]
https://www.blopig.com/blog/20....24/06/comparing-pose