Happy to share our work combining simulations and experiments to elucidate the enzymatic reaction mechanism of CCR, one of the most efficient carboxylases; crucial information for the design of new biocatalysts for CO2 fixation @vohringerlab @ACSCatalysis https://t.co/5Fa3VthpBl
#postdoc position to do #compchem on #enzymes in my group @BristolBiochem!
Want to explore using ML potentials for enzyme reactions? Simulation-led enzyme engineering?
Apply by Nov 30th!
https://t.co/Se6Ez1DlD4
(#BlackInSTEM particularly encouraged!)
Ya están abiertos los registros para #QCMM2022 ! Recordar que habrán becas de asistencia para alumnos de pre y postgrado!. Los esperamos en el bello Concepción!
📢 We're looking for a Biomolecular Modeller (Postdoc)!
💡 Join our R&D team as a Scientific researcher working on biomolecular modelling of #enzymes for industrial application and on the development of related software
Apply before May 12th👉https://t.co/fdoBktXLe6
#ScienceJobs
New ⭐ Check out Rubén A. Fritz, @YamilJColon & Felipe Herrera @faherreraur at @FisicaUsach's #ChemSciCovers🎨 article 🤩⬇️
Engineering entangled photon pairs with metal–organic frameworks 🔗 https://t.co/K1nNo3ieSC
We have PhD/Postdoc job openings in our Molecular Dynamics group at the Univ. of Groningen:
(1) PhD position in Non-Equilibrium Cellular Processes
(2) PhD/Postdoc position in Biomolecular Simulation of Photosynthetic Membranes
For more details, see https://t.co/6nRh5zvp1E.
🧬Happy New Year from the TCCM team!🧬
Get a full grant to study Theoretical Chemistry and Computational Modelling in an international environment!
Apply before February 15th to join our Erasmus Mundus Master Degree!
#Erasmus#science#chemistry#study#erasmusmundus#master
My colleague Sergio Martí did it! The best code for QM/MM simulations
QMCube (QM3): An all‐purpose suite for multiscale QM/MM calculations https://t.co/2I3PmG4lRK
Finally out our work on the influence of Mg2+ ions in the phosphoryl transfer mechanism in CDK2. QM/MM free energy calculations using the adaptive string method.
Thanks @InakiTunon, @JansAlzate and Kirill Zinovjev for the support. @UTalca@ACSCatalysis
https://t.co/Jk2IHmZ5Fi
Using #compchem to fight #COVID19. Another contribution with @CarlosRTNT and @JavierR55880955 is out:
Unveiling the mechanism of SARS-CoV-2 3CL protease inhibition with aldehydes and ketones
https://t.co/JlLhBVCNmO