EvaNittinger

Scientist, computational chemist, interested in new developments and applications

[EvaNittinger @NittingerEva]

Looking forward to present at tomorrow ELLIS workshop about generative AI, REINVENT, it’s possibilities and challenges!

[Günter Klambauer @gklambauer]

LAST REMINDER

Tomorrow (Dec 8), 9am CET, this year's @ELLISforEurope Machine Learning for Molecules Workshop starts!

Open for everyone to join for free!

Schedule and registration:
https://t.co/8Lny62Uc5R

[Francesca Grisoni @fra_grisoni]

Less than one week left to submit your work to the #ELLIS ML4Molecules workshop! ⏰

Don’t miss out 💪🏻

👉https://t.co/GIoGAHTTlA

Deadline: Oct 23, 2023!

[Günter Klambauer @gklambauer]

New deadline October 13th!

Suit up (your papers)!!!

[Sumaiya Iqbal @Sumaiyalqbal]

🎤 Call for abstract!
The Broad Institute #MachineLearning in #drugdiscovery Symposium 2023 will feature top industry and academic speakers👇
Calling all grad students/trainees to register and submit an abstract, 👉 https://t.co/sPCIePn3bV

[Günter Klambauer @gklambauer]

The 3rd edition of the ELLIS ML4Molecules Workshop has been announced!

⏰ Virtual event on December 8 ⏰

Call for contributions open!

Participation is free -- join us!!!

https://t.co/8Lny62Uc5R

[EvaNittinger @NittingerEva]

Looking forward to my new role and many interesting submissions!

[Journal of Cheminformatics @jcheminf]

Please welcome our new Associate Editor @NittingerEva !
https://t.co/WskbtasmoV

[EvaNittinger @NittingerEva]

GRC program is also out - with a fantastic line up of speakers!
https://t.co/7BpO1nNq8p

[EvaNittinger @NittingerEva]

Interested in computer aided drug design and a young scientist? Come join our seminar GRS CADD accompanying the GRC CADD in Mount Snow in July.
https://t.co/vdF13Wtr6C
#cadd #cheminformatics #compchem #conference2023

[Nadine Schneider @foo_fighterin]

Interested in ML for small molecule drug discovery? Then have a look at our perspective which highlights different aspects of this topic specific to academia and industry.

[EvaNittinger @NittingerEva]

@SiFulle Hi Simone, looking forward to meeting you there! In case you know some interested students/PhDs/PostDocs please feel free to share the #GRC accompanying seminar #GRS #CADD https://t.co/vdF13WtYWa

[EvaNittinger @NittingerEva]

@ifndef_define [3] Among the presentations were SQM/COSMO scoring function, AMBER, GROMACS, DOCK, AIZynth.
Additionally there were flash presentations on ProteinsPlus, MELLODDY, induced fit docking, docking+AI, nanoparticles, and virtual screening, not to forget the ~40 posters presented.

[EvaNittinger @NittingerEva]

Two days of great presentations and discussions at the 1st Nordic Conference on Computational Chemistry - thanks a lot to everyone who joined!
#1NoCoCoChem #CADD #compchem

[EvaNittinger @NittingerEva]

@ifndef_define [2] MD simulations, allosteric site detection, (large scale) docking and the combination with ML/AI, RNA targeting, QM, property models, reaction prediction and de novo design from small molecules, to peptides and proteins.

[EvaNittinger @NittingerEva]

Special thanks to all presenters!
@eriklindahl Giuseppina La Sala @cathrinebergh @annalinusson Jens Carlsson Ulf Ryde @BrenkRuth⁩ @Lepsik_science Alelsei Kabedev ⁦@PeONor⁩ ⁦@foo_fighterin @DelemotteLab @GiulioTesei @SiFulle Ricardo Ferreira⁦ Ingemar André

[EvaNittinger @NittingerEva]

Now starting: 2nd day of the 1st Nordic Conference on Computational Chemistry - looking forward to presentations from Per-Ola Norrby and Nadine Schneider in the first session
@PeONor @foo_fighterin #1NoCoCoChem

[Mireille V. Krier @mvkrier]

Looking forward to attend #1NoCoCoChem for @OpenEyeSoftware . Will you also join?

[EvaNittinger @NittingerEva]

The programme for our Nordic Conference on Computational Chemistry has been updated - early registration deadline June 15th!
#conference2022 #compchem #cheminformatics #computationalchemistry

[EvaNittinger @NittingerEva]

Join our 1st Nordic Conference on Computational Chemistry in Gothenburg, Sweden. 1 month to submit your abstract for oral/poster presentation!
https://t.co/lb9UsMogkR
#computationalchemistry #cheminformatics #conference2022

[EvaNittinger @NittingerEva]

1 week left to submit an abstract!
#computationalchemistry #cheminformatics #conference2022

[EvaNittinger @NittingerEva]

Join our 1st Nordic Conference on Computational Chemistry in Gothenburg, Sweden. 1 month to submit your abstract for oral/poster presentation!
https://t.co/lb9UsMogkR
#computationalchemistry #cheminformatics #conference2022