Chris Oostenbrink

@[email protected]
46 Followers
32 Following
33 Posts
We use computers to study the behavior of molecules. With simulations we zoom in on individual molecules and see how they move at really short times.
https://boku.ac.at/en/map/mms
Websitehttps://boku.ac.at/en/map/mms
ORCIDhttps://orcid.org/0000-0002-4232-2556
Chris OostenbrinkMay 12, 2023

Great work initiated in two bachelor projects is now out in J. Chem. Theory Comput.!
Using A-EDS as a chemostat to probe the presence of water molecules in an active site. Congratulations to all involved: Oriol, Michael, Lisa and Anita!

https://doi.org/10.1021/acs.jctc.3c00109

Chris OostenbrinkDec 23, 2022
Elisa Fadda-🔺Dec 23, 2022

I am super excited to let you know that our paper "Variations within the glycan shield of SARS-CoV-2 impact viral spike dynamics" in collaboration with Max Crispin's lab is now live on JMB #glycotime #SarsCoV2 #viralinfection #variants

#tootorial 🧵 ⬇️

https://www.sciencedirect.com/science/article/pii/S0022283622005551#f0030

Chris OostenbrinkDec 19, 2022
Marc Robinson-RechaviDec 19, 2022
If you're getting a manuscript final ready for the end of the year, my advice is: don't submit it to a journal now, it will only create frustration as editors and reviewers take holidays while journals are submerged with "managed to finish in 2022" manuscripts. Rather, preprint it now, and submit mid January, with the benefit of feedback and time to think, and editors and reviewers now slightly more available. #preprint #protip
Chris OostenbrinkDec 15, 2022

I'm very excited to share our latest publication with Oriol Gracia Carmona. We revisited the binding affinity of small molecules to the T4 Lysozyme L99A mutant, which has been well studied before. Using accelerated enveloping-distribution sampling (A-EDS), we observe good sampling of the orthogonal degrees of freedom and obtain a very good correlation against experimental binding affinities with only very little simulation time. We also explore the possibility of using A-EDS in a virtual screening mode, to just identify the most promising molecules from the series. Check it out!

@compchem

https://pubs.acs.org/doi/10.1021/acs.jcim.2c01272

Chris OostenbrinkDec 7, 2022

Today, we celebrated the official opening of our new CD laboratory. Together with the university of Vienna, BASF and Boehringer Ingelheim, we will develop new methods to describe molecular interactions and to design new active molecules.

https://boku.ac.at/news/newsitem/72150 (in German)

Neues Christian Doppler Labor

BOKU beteiligt sich an CD Labor für Molekulare Informatik der Uni Wien mit Forschung an Molekülstruktur-basierten Verfahren.

Chris OostenbrinkNov 25, 2022
Eva AmsenNov 25, 2022

I see your Buy Nothing Day and I raise you Buy Something At Your Local Independent Stores And Restaurants Because They're Struggling In The Cost Of Living Crisis.

Not as catchy, I know. #shoplocal #costofliving

Chris OostenbrinkNov 23, 2022
Florian AignerNov 23, 2022
Ich habe heute wieder mal jemanden angerufen, der mir eine Beschimpfungs-Mail geschrieben hat. Manchmal kann man auf diese Weise Missverständnisse beseitigen und geht dann freundschaftlich auseinander. Heute nicht. Interessant war es trotzdem. (Thread)
Chris OostenbrinkNov 22, 2022
Christopher JonesNov 20, 2022

Dear students:

If you’re considering emailing a former professor just to check in and say hi, but are hesitant because you have nothing substantive to say, consider this an invitation to go ahead and send that email. It really means a lot.

Chris OostenbrinkNov 19, 2022
muesliJan 18, 2021

"Telling a programmer there's already a library to do X is like telling a songwriter there's already a song about love"

-- Pete Cordell

Chris OostenbrinkNov 19, 2022
c0nc0rdanceNov 19, 2022
I want to tell you the story of Vivienne Malone-Mayes, Texas-born mathemetician and professor, but I don't think you can understand her journey without talking about the #AcademicRacism in which she existed.