With our latest #WEASEL release, it is time to introduce another workflow: the fully automated calculation of rotational barriers for arbitrary molecules, enabling the reliable identification and classification of #atropisomers.

Learn more about WEASEL and its workflows at https://www.faccts.de/weasel/

#FACCTs #Workflows #QuantumChem #CompChem #CADD

Postdoctoral Fellow in Computer-Aided Drug Design
The Institute of Cancer Research

#CompChem #Postdoc at The Institute of Cancer Research (London, UK)
Computational chemist in #drugdiscovery. Closing date 12/09/2025
#CADD #cheminfo

See the full job description on jobRxiv: https://jobrxiv.org/job/the-institute-of-cancer-research-27778-postdoctoral-fellow-in-comput...
https://jobrxiv.org/job/the-institute-of-cancer-research-27778-postdoctoral-fellow-in-computer-aided-drug-design-2/?fsp_sid=1915

pretty wild digitizing tablet found locally - didn't buy it, but found it fascinating

covered by RetroCAD:
https://www.youtube.com/watch?v=koeU9EjzEFQ

#cadd #retroComputing