Faculty of Chemistry University of Warsaw
We seek to recruit a self-driven and creative chemist with good knowledge of crystallography and solid state to join our team to work on SONATA17 project entitled
“Dynamic Quantum Crystallography for accurate structures, entropy and other thermodynamic properties for molecular crystals”.
Here you can find more details: post-doc.pdf.
Grant proposal titled
Dynamic Quantum Crystallography for accurate structures, entropy and other thermodynamic properties for molecular crystals
by Anna Hoser
get funding from National Science Centre!
Congratulations!
‘We are stronger together than we are alone.’ New publication as a result of long-term and fruitful cooperation between Wozniak’s and Grela’s groups.
Wioletta Kośnik, Dawid Lichosyt, Marcin Śnieżek, Angelika Janaszkiewicz, Krzysztof Woźniak, Maura Malińska, Bartosz Trzaskowski, Anna Kajetanowicz, Karol Grela
SONATA BIS 11 grant awarded to dr Maura Malińska by National Science Centre, Poland.
Project title: True Bioisosteres – Structural and Thermodynamic Classification of Molecular Fragments for Ligand Design
Vitamins D are a group of fat-soluble secosteroids which play a regulatory role in the functioning of most cells. Rational design of new vitamin D analogs of increased therapeutic potency and lowered calcemic side effects requires high-resolution initial structures and a deep understanding of interactions with the vitamin D receptor. In this paper, using quantum crystallography methods, we present the first determination of the experimental quantitative charge density of an advanced intermediate of vitamin D analogues as well as a reconstruction of the theoretical electron density of final vitamin D analogues. Application of these methods allows for topological and electrostatic interaction energy analysis which is important for understanding biological effects.
