Artur Góra

Final Call – Applications Close Today! It’s the last day to apply for one of the 10 PhD positions in the COMENZE Doctoral Network, funded by Horizon Europe MSCA. msca-comenze.eu

One week left! Excellent partners, intensive collaborations, state-of-the-art methods, ambitious and important scientific topic! We are searching talented master students to join our network and help engineer enzymes for plastic degradation and recycling. msca-comenze.eu

Happy to share my 1st first-author publication and the latest work from @tunnelinggroup Huge thanks to my supervisor @_artgora for the invaluable support! authors.elsevier.com/c/1k5AW4r9RkrQ…

I am trilled to share review made by my talented PhD candidate Weronika Bagrowska, who did realy nice comprehensive analysis of known ihibitors and reactivators of acetylcholinesterase. sciencedirect.com/science/articl…

@JanBrezovsky1 @carseq @ACS4Authors @UAM_IBMiB Congrats!!!

Super proud of @carseq work, both scientifically, but also sci-art. His cover idea was just published at JCIM! Cool art, interesting project, go see for yourselves :) pubs.acs.org/toc/jcisd8/64/… @ACS4Authors @UAM_IBMiB #sciart #compchem #biochem

@MSDLabMD @BzowkaMaria @szleperkasia Thank you @MSDLabMD for great talk and inspiration!!

📢We are open for applications to participate in the BioExcel Summer School on Biomolecular Simulations 2024 This is our flagship training event and will take place 16-21 June 2024 in Sardinia, Italy 🌞⛱️ For more information and how to apply ➡️bit.ly/41Uap4S

☝️Don't forget to register for our webinar on new features and improvements in GROMACS 🗓️5 March 2024, 15:00 CET ➡️ bit.ly/42qWFit #moleculardynamics #webinar #GROMACS

If you are interested in a hands-on learning experience in molecular modeling using modern supercomputers the Spring School in Computational Chemistry 2024 is where you need to be: ℹ️ bit.ly/3U5NZvK Registration deadline: 17 March 2024 #compchem #moleculardynamics

Final touches and... ready, steady, go #EMBObiomolComplexes @EMBO @kocuniversity

@wojciechkopec3 @QMUL @QMULSPCS Congratulations!!

Next part of our TLR story was presented during QBIC6 conference by @BzowkaMaria, Kasia and @tunnelinggroup former member Agnieszka. Great collaboration!!

Recent Advances in Studying Toll-like Receptors with the Use of Computational Methods #compchem pubs.acs.org/doi/10.1021/ac… @BzowkaMaria @enzymiara @_artgora Vol63 Issue12 #JCIM #Reviews

Quote of the day by @simmerling : if you got only one message for my talk, don't use TIP3P water model! It is not very good 😎 #ACSFall2023 #compchem

It's so rewarding to see how others appreciate integrative modeling :) "An interesting combination of computational and experimental approaches was applied for the identification and understanding of the Zn binding to the TIR domain[bit.ly/tirzn]" Check both papers :)

Great work of 2 talented PhD students @BzowkaMaria and @enzymiara. Soon their research paper about TLR. Now enjoy review. Recent Advances in Studying Toll-like Receptors with the Use of Computational Methods pubs.acs.org/doi/10.1021/ac…

@JanBrezovsky1 @AQUA_DUCT @acellera Nice work!!! Thank you!!

Not possible without cool software like AQUA-DUCT (@AQUA_DUCT), TransportTools (github.com/labbit-eu/tran…), or Divide-and-conquer protocol (doi.org/10.1016/j.mex.…) to study supper narrow tunnels in MD trajectories from adaptive sampling simulations generated by HTMD(@acellera).

Here, we revisit the rules defining open tunnels in enzymes allowing them to work. So far, it was common to consider only those > 1.4 Å to be accessible to water molecules. Surprise, about 1/5 of waters flows by much smaller tunnels!! #Bioinformatics, #biotechnology #compchem

@fatemehaghighi1 No it is hands on, you cannot do it remotely.

We are co-organizing free workshop on proteins ligands interaction. Register now nanotempertech.com/workshops/ntt-…

@LuBruGonzaga @tunnelinggroup Hello @LuBruGonzaga, I am not sure what you mean by water capture. What we can do and what we are doing is to predict position of water molecules important for catalysis, and predict regions in protein where water molecules are trapped. So in that sense - yes it can be used.

Happy to take part in #RSCPoster from @tunnelinggroup. We are happy to share poster about our tool for protein understanding. #RSCChemBio, #RSCCat.