Gabriella Jonasson

Paris-based comp chem. Heavy dark chocolate addict. Huge 3decision fan. I also love dark chocolate...

[Gabriella Jonasson @GabJonasson]

Structure- and ligand-based analysis - How to combine the best of two worlds for driving compound design https://t.co/FlCXMaLx86 via @LinkedIn

[Gabriella Jonasson @GabJonasson]

Thank you everyone who joined our Webinar yesterday!
For everyone else who is interested in mining the PDB for similar sub-pockets, check out the online video recording here: https://t.co/lpNqxhU2ga :)

[Peter Schmidtke (@[email protected]) @pschmidtke]

image generated using #vmd and #tachyon ray tracer

[Peter Schmidtke (@[email protected]) @pschmidtke]

Stunning local partial similarity between orexin2 (6tpg) from @soseiheptaresco and estrogen receptor (5aau) spotted by fuzzy subpocket search in the upcoming 3decision release!

[Peter Schmidtke (@[email protected]) @pschmidtke]

Upcoming #3decision release will allow you to run pocketome-wide subpocket search. Here an example for #sarscov2 protease subpocket search yielding hits from close & remote viral structures (#mers, gatroenteritis virus, coxsackie virus b3 ....) https://t.co/a352QlZzdy
#sbdd

[Gabriella Jonasson @GabJonasson]

This was kind of funny https://t.co/dpWFyVkFzH

[Gabriella Jonasson @GabJonasson]

@macinchem I’m so sorry for your loss Chris. My condolences to you and your family.

[Nxera Pharma @NxeraPharma]

Sosei Heptares announces it will apply its unique structure-based drug design #SBDD platform and capabilities to the global research efforts to discover drugs targeting the SARS-CoV-2 #coronavirus and to treat #COVID19. View press release: https://t.co/gvpilmKWnq

[Peter Schmidtke (@[email protected]) @pschmidtke]

Check out my latest article: SARS-Cov-2 - nsp1: A hopefully more detailed analysis of the cellular saboteur
https://t.co/OJtlPfAtmo
heavily cleaned up thanks to @GabJonasson ;)
#SARSCoV2 #sbdd #compchem #COVID19 #SARSCoV19 #nsp1

[Chris de Graaf @Chris_de_Graaf]

#3decision structural #GPCR #chemogenomics database collaboration for #SBDD with @pschmidtke @GabJonasson @Discngine

[Gabriella Jonasson @GabJonasson]

@Chris_de_Graaf @pschmidtke @Discngine Very exciting times. Looking forward to working with you. 🙂

[Peter Schmidtke (@[email protected]) @pschmidtke]

Check out my latest article: SARS-CoV-2 - From the viral genome to protein structures - a first global overview: https://t.co/rGB3OT7TAX
or here
https://t.co/0NKTg2FeN5
#SARSCoV2 #SARS_COV_2 #SARS_CoV2 #COVID19 #sbdd #compchem #drugdiscovery

[Gabriella Jonasson @GabJonasson]

@3dsBIOVIA Is your prepared structure publicly available? We're centralizing all structural data of interest.

[Gabriella Jonasson @GabJonasson]

@RommieAmaro @julienmich80 @LCasalino88 @zied_gaieb @abbydommer @AmaroLab Yes, that would be awesome indeed. Can't wait to register the structure(s) in the public 3decision DB where we centralize all experimental and in silico structures of the SARS-COV2 proteome. https://t.co/3oK3HxAooJ

[Patrick Walters @wpwalters]

Cool new paper from @Novartis in @JMedChem on recommender systems for medicinal chemistry. Chemists who made this molecule also made this molecule ...
https://t.co/5M7NCEnMhL

[Gabriella Jonasson @GabJonasson]

Just put together an article on what I've learned the last couple of days when digging into some of the sequence, protein and drug data available on the new #coronavirus. Can’t wait to hear your thoughts
https://t.co/SFQ4R04eQ2
#2019ncov #compchem #drugdiscovery #3decision

[Noel O'Boyle (@[email protected]) @baoilleach]

On "Comparing chemical spaces"

https://t.co/oj7jXrSsVR

[Gabriella Jonasson @GabJonasson]

Nice Maxime!

[Gabriella Jonasson @GabJonasson]

Off for a couple of days in the south of France with @Discngine.
#offsite #kaizen #openspacetechnology #workinginflipflops

[Gabriella Jonasson @GabJonasson]

@ProfWhelan Really cool if this works!