Martin Smieško

[Roberta Metsola @EP_President]

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.

[Martin Smieško @MSmiesko]

We decided to open our VirtualToxLab service to everyone without registration. Please see: https://t.co/JCLqqMTWyy #toxicity_prediction #offtarget_binding

[Martin Smieško @MSmiesko]

Peculiarities of Complement C3 inhibition explained @NatureComms https://t.co/BxJZVRuNqX #complement #compstatin #complement #CompChem #DrugDesign

[samplchallenges @samplchallenges]

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!

[Golden State Warriors @warriors]

Steve Kerr on today's tragic shooting in Uvalde, Texas.

[Martin Smieško @MSmiesko]

Crazy ratio: 70 grams of prosciutto packed using 30 grams of plastic.. #plasticpollution

[Artur Góra @_artgora]

We are urgently searching for postodcs in protein chemistry and computational chemistry - 2 positions. Please RT.

[Martin Smieško @MSmiesko]

We had a look on how some cosmetic ingredients may fool human RORγ. #cosmetics #CompChem #DrugDesign https://t.co/0HB7VjWQmX

[Arnold Schwarzenegger @Schwarzenegger]

I love the Russian people. That is why I have to tell you the truth. Please watch and share.

[Martin Smieško @MSmiesko]

Science should not mix with politics, but exceptional circumstances need exceptional reactions. #PutinsWar #Lukashenko Drawing by Shooty

[University of Basel @UniBasel_en]

Statement of the University Management on the War in Ukraine:

[Martin Smieško @MSmiesko]

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

[Martin Smieško @MSmiesko]

Interesting free online event hosted at our university:
https://t.co/ztokrv0Wgv

[Martin Smieško @MSmiesko]

We had a look on the selectivity of reported SARS-CoV-2 protease inhibitors https://t.co/EV03zsY9fj #CompChem #MedChem #CADD

[Martin Smieško @MSmiesko]

Are modelers better than scoring functions in molecular docking? https://t.co/Frz5O32FZH #CompChem #DrugDesign

[Peter Ertl @peter_ertl]

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.

[Martin Smieško @MSmiesko]

Want to know more on allosteric interplay of known modulators of the androgen receptor? https://t.co/8lIYZs5aRw #CompPharm #CompChem #computational #chemistry

[CompPharmBasel @CompBasel]

Recent paper by our lab!
#Cheminformatics #CompChem #Water
Instantaneous generation of protein hydration properties from static structures https://t.co/MRFXg4AogL

[Martin Smieško @MSmiesko]

Complex machinery: membrane bound model of cytochrome P450 reductase with the CYP2D6
#CompPharm #CompChem #Cytochrome
https://t.co/jnHa2o2O0w

[Martin Smieško @MSmiesko]

Off-target antagonists binding at thyroid receptors https://t.co/6e01UkUknD