Pravda. Spravodlivosť. Zodpovednosť.
To sme sľúbili rodičom slovenského novinára Jána Kuciaka a jeho snúbenice Martiny Kušnírovej, ktorí boli pred šiestimi rokmi zavraždení.
Tento náš záväzok platí aj dnes. Chrániť novinárov, brániť slobodu médií & bojovať za demokraciu.
We decided to open our VirtualToxLab service to everyone without registration. Please see: https://t.co/JCLqqMTWyy #toxicity_prediction#offtarget_binding
We’re running a new binding challenge, involving predicting which compounds (out of about 45K) bind to a particular protein target: https://t.co/cHSb6MfKRc
Stage 2 will involve predicting IC50 values, and we will revisit the same target again later.
RTs appreciated!
Inspired by our previous observations, we had a systematic look on the CYPs regarding the existence of a common allosteric site. https://t.co/hzjGUff2zG #CompChem#MedChem#CADD
The popular JSME molecule editor in #JavaScript is now available on GitHub https://t.co/V4TNcp6gc9 If you are using an older JSME, update to the latest version 2020.12. See there also a JSME Hall of Fame with links to many cool #cheminformatics tools using JSME.
Recent paper by our lab!
#Cheminformatics#CompChem#Water
Instantaneous generation of protein hydration properties from static structures https://t.co/MRFXg4AogL