PhD Student Kasia Szleper from MSD group receives poster prize from QBIC VII conference in Berlin. Congratulations.🏆

Dr Mariusz Radoń ist the 2024 QBIC Society Award winner.🏆

QBIC Society Award goes to Anastassia Alexandrova from UCLA. #compchem #chemsky

Do not forget QBIC VII in Berlin in August 2025 !

The Computational Chemistry List (CCL) will come to an end. Jan Labanowski has been running it since 1991. Conference, jobs, answers to theory and code could be found there for so many years. #compchem, #ccl. Thank you so much, Jan.

500 scientists were attending the General Assembly of the Max Planck Society @maxplanck.de in Magdeburg. @matthiasstein.bsky.social presenting the work of the MSD group.

Long Night of Science in Magdeburg last week. #LNDW2025. @maxplanck.de and @uni-magdeburg.de, among others. What a great night for #chemsky.

@uni-magdeburg.de and @maxplanck.de have published in leading Chemical Engineering Journal on @elsevierconnet.bsky.social: buff.ly/09RBm4l. Discover how to adapt kinetic models for green chemistry reactions when solvents are altered. #GreenChemistry #ChemicalEngineering

Registration for the Quantum Bio-Inorganic Chemistry Conference QBIC VII in Berlin (26-29 August 2025) has opened: buff.ly/PdqOoIE.

Enantioselective discrimination of enantiomers using (R,S)-BINOL elucidated through NMR, MD, and QM methods. Diffusion and binding interactions essential for chiral recognition are rationalized. Just out in Chemistry - A European Journal buff.ly/K7bMPhC.

A new publication from MSD group features PhD candidate Dilsah in partnership with the University of Brisbane and the Medical Faculty of Magdeburg. Human secretory protein TFF1 reveals striking stability under reducing conditions. Out in Redox Biology https://buff.ly/4bczRY3.

The MSD group is looking for a PhD candidate in sustainable computational chemistry.
- Design reactive homogeneous catalysts for sustainable processes
- Develop bio-inspired catalysis with abundant non-precious metals
Apply before 16th February 2025 via https://buff.ly/40PpmX1 and choose MSD.

MSD group 2025 paper out @pubs.acs.org: experiment and simulation of polyionic liquids as gas sensors #chemsky #compchem in ACS Omega @acs.org (https://buff.ly/4h2Egir).

First 2025 publication by MSD group out in @acs.org JCIM #compchem #compbio:
https://buff.ly/3Cchm95 .
Mircosecond MD plus QM/MM elucidate reactivity of Cezanne-2 (cellular zinc finger anti-NF-kappa B) - an ovarian tumor domain deubiquitinylase.

First post from #compchem and #compbio Molecular Simulations and Design group. Here at Christmas dinner last week: it was great year 2024 due to hard work from everyone.