Eva Vos retweeted
Our latest paper in @J_A_C_S on NMR and computationally guided enzyme engineering is featured on the journal cover!
Stunning cover art by Eva Vos in @kamerlinlab
@CanalUGR @iqf_csic @RMNPro_IQF @ACSPublications #MyACSCover
Read our paper here: pubs.acs.org/doi/10.1021/jac…
Eva Vos retweeted
On the cover of this week's issue: "Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots"
Read it here 🔗 go.acs.org/czz
Eva Vos retweeted
"High-efficiency Kemp eliminases by complete computational design" - de novo designed and computationally optimized enzymes with up to kcat/KM of 12500 M-1, increase to >10^5 M-1s-1 by additional mutation of an aromatic residue. Out on @biorxiv 1/
biorxiv.org/content/10.1101/…
Eva Vos retweeted
Are you excited about finding out how new proteins emerge and evolve? So are we! Come join us in beautiful Lund! 2 year computational postdoc, in collaboration with Marie Skepö. Submit your application by December 31st for full consideration.
drive.google.com/file/d/1AJI…
ALT Details of postdoc vacancy and application process. PDF version provided in the Google Drive link.
Eva Vos retweeted
Sin duda la persona que más ha empujado la Química Computacional en nuestro país. Un reconocimiento bien merecido. Felicidades Manolo!
🏅Manuel Yáñez Montero recibe el Premio Lifethime Achievement 2024
📌El galardón lo concede la Division Computational and Theorethical Chemistry de la Euroepan Chemistry Society en reconocimiento a su labor y dedicación en el campo de la Química.
🔗tinyurl.com/2367qo99
ALT Manuel Yáñez
Eva Vos retweeted
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2024 #NobelPrize in Chemistry with one half to David Baker “for computational protein design” and the other half jointly to Demis Hassabis and John M. Jumper “for protein structure prediction.”
Eva Vos retweeted
Our combined structural, kinetic, NMR and computational paper probing conformational control of loop dynamics in a key enzyme of histidine biosynthesis, HisF, is now online at @JACS_Au ! Collaboration with Reinhard Sterner, Remco Sprangers, and others. pubs.acs.org/doi/10.1021/jac…
Eva Vos retweeted
Want to join us? Application for a 4 year PhD #FPI contract at the Chemistry Department of @UAM_Madrid is now open to work on the simulation of the mechanism of action of DNA targeting drugs. DM for more info.
Eva Vos retweeted
Debate about ox.state of Be in Braunschweig's landmark compound (CAAC)2Be goes on. Check the interesting comment by Frenking and Pan as well as the superb reply by Andrada, Salvador, Jana and Corral et al.
@ICCGroup2 @icorraluam @Evaavos @mgimferrer @Tetidanes
#oxidationstate
How to assess the oxidation state of low-valent Be and Mg compounds? 🤔 Find further details on our recent discussion in @ChemicalScience
👇👇👇
pubs.rsc.org/en/content/arti…
Great collaboration @icorraluam @Evaavos @mgimferrer @Tetidanes @ChemYildiz and Anukul Jana
#oxidationstate
Eva Vos retweeted
The reply to the comment we received is finally out, with the OS boss @pesalse 😜
How to assess the oxidation state of low-valent Be and Mg compounds? 🤔 Find further details on our recent discussion in @ChemicalScience
👇👇👇
pubs.rsc.org/en/content/arti…
Great collaboration @icorraluam @Evaavos @mgimferrer @Tetidanes @ChemYildiz and Anukul Jana
#oxidationstate
Eva Vos retweeted
Can we rely on EDA-NOCV to assign the oxidation state of low-valent Be and Mg compounds? Check our last discussion on this issue.
How to assess the oxidation state of low-valent Be and Mg compounds? 🤔 Find further details on our recent discussion in @ChemicalScience
👇👇👇
pubs.rsc.org/en/content/arti…
Great collaboration @icorraluam @Evaavos @mgimferrer @Tetidanes @ChemYildiz and Anukul Jana
#oxidationstate
Eva Vos retweeted
That was a great discussion! Many thanks to all the team especially @ICCGroup2 for their superb effort! Don't hestitate! Click te link bhelow and see the history :)
How to assess the oxidation state of low-valent Be and Mg compounds? 🤔 Find further details on our recent discussion in @ChemicalScience
👇👇👇
pubs.rsc.org/en/content/arti…
Great collaboration @icorraluam @Evaavos @mgimferrer @Tetidanes @ChemYildiz and Anukul Jana
#oxidationstate
Eva Vos retweeted
How to assess the oxidation state of low-valent Be and Mg compounds? 🤔 Find further details on our recent discussion in @ChemicalScience
👇👇👇
pubs.rsc.org/en/content/arti…
Great collaboration @icorraluam @Evaavos @mgimferrer @Tetidanes @ChemYildiz and Anukul Jana
#oxidationstate
Eva Vos retweeted
🎓🗓️CALL FOR APPLICATIONS IS OPEN!🎓🗓️
An amazing opportunity for all lovers of #theoreticalchemistry. You can get an #ErasmusMundusScholarship to study a Master in some of the most prestigious European universities, cover your expenses and much more!
emtccm.org/application/ – at Madrid, Spain
Eva Vos retweeted
Second lecture by Jesús González Vázquez who is talking about Surface Hopping Dynamics
#M2DSchool
Eva Vos retweeted
The third day of the #M2DSchool starts with a nice lecture on Classical Molecular Dynamics by @psanmur
Eva Vos retweeted
Second day of the #M2DSchool starting with Basile Curchod @insilphotochem to talk about Nonadiabatics Dynamics and Multiple Spawning.
Eva Vos retweeted
Tomorrow we start our course with two great lecturers. Don't miss the opportunity to learn about Wavefucntion Analysisi with Felix Plasser and Automatic Reaction Search with @emilio_nune.
#M2DSchool
Here you can find all the program details
⬇️⬇️
m2d-school.qui.uam.es/index.…