Carlos Sequeiros-Borja

[JCIM & JCTC Journals @JCIM_JCTC]

EasyHybrid: An Interactive Graphical Environment for Quantum, Classical and Hybrid Simulations with pDynamo3
https://t.co/QubHmOCGjy
@HagenGustavo @carseq
#JCIM Vol66 Issue3 #ApplicationNote

[Carlos Sequeiros-Borja @carseq]

A great research opportunity is open now at my former lab. If you're interested in computational protein engineering, this call is for you. I learned a lot during my time under @JanBrezovsky1 group and can confirm that the mentoring is top tier 💯 https://t.co/K3aeP5nghO

[Carlos Sequeiros-Borja @carseq]

@starsetonline

[Carlos Sequeiros-Borja @carseq]

@extrafabulous Those who know

[JCIM & JCTC Journals @JCIM_JCTC]

Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases #MolecularDynamics
https://t.co/SnNwSy5DrC
@carseq @surpeta_b @igorMarchlewski @JanBrezovsky1 @IIMCB_Poland @UAM_IBMiB
#JCIM Vol64 Issue15 #compchem

[Carlos Sequeiros-Borja @carseq]

@JanBrezovsky1 @_artgora @ACS4Authors @UAM_IBMiB And what a ride it was 😅

[Jan Brezovsky @JanBrezovsky1]

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 :) https://t.co/ecjlLIJloz @ACS4Authors @UAM_IBMiB #sciart #compchem #biochem

[Carlos Sequeiros-Borja @carseq]

@Nature What a shame seeing this type of "information" in one of the top scientific journals 😢

[Carlos Sequeiros-Borja @carseq]

@kmitusinska @JanBrezovsky1 @surpeta_b Thanks, it means a lot to me ☺️
This one in particular was quite the challenge, but I'm happy how it turned out

[Carlos Sequeiros-Borja @carseq]

Finally, in https://t.co/6UZfy0V6O1 we show that water molecules passing through wide tunnels make few or no H-bonds. However, in narrow tunnels, water molecules form several H-bonds to overcome repulsion and move efficiently
@JanBrezovsky1 @surpeta_b
#sciart #bioinformagician

[Carlos Sequeiros-Borja @carseq]

In our recent paper https://t.co/6UZfy0V6O1, we observed that when water molecules cross shallow spaces, several Hydrogen bonds are formed with the protein to stabilize the transport
@JanBrezovsky1 @surpeta_b @igorMarchlewski @aravind_ram_ Cedrix Dognmo

More videos soon 😉

[Carlos Sequeiros-Borja @carseq]

The insights we obtained, allowed us to provide a deeper explanation of phenotypical differences in a natural variant of the human epoxide hydrolase
Kudos to my awesome team @JanBrezovsky1 @surpeta_b @igorMarchlewski @aravind_ram_ Cedrix Dongmo
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[Carlos Sequeiros-Borja @carseq]

We know that water can traverse almost any barrier by entering minuscule spaces. Does the same happen at molecular level in proteins?
In our recent paper, together with @JanBrezovsky1, we study and challenge common views of water transport in proteins https://t.co/6UZfy0V6O1
1/3

[Carlos Sequeiros-Borja @carseq]

We used three model system enzymes to uncover the limits for the transport of water molecules across their tunnel network
2/3

[Carlos Sequeiros-Borja @carseq]

@MandalNishita @CG_Martini @NCN_PL @JanBrezovsky1 @UAM_IBMiB Congratulations Nishita 🥳

[Mateusz Bajczyk @MateuszBajczyk]

PhD Position (from Preludium BIS grant) in Plant Biology available in our group at
@UAM_IBMiB
Please RT
Deadline: 30th August 2023

#PlantSciJobs #vacancies #jobs #PhDPoland #PhDposition

[Pedromics @pedromics]

Burn it to the ground.

[Jan Brezovsky @JanBrezovsky1]

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

[Mateusz Bajczyk @MateuszBajczyk]

I’m very happy to see online our new review about my beloved SERRATE protein published in @TrendsPlantSci. Great collaboration with @MonikaJozwiak2 and Artur Jarmolowski and nice support from Zofia Szweykowska-Kulinska, and Dawid Bielewicz @plantrnagroup. https://t.co/7v7TN4V2XS

[Carlos Sequeiros-Borja @carseq]

On the other hand, non-substrate chemically similar compounds had to surmount considerably higher energy barriers to be transported
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[Carlos Sequeiros-Borja @carseq]

The results we got with @MedicagoCrew and @JanBrezovsky1 showed that natural substrates of our ABCG protein can traverse the tunnel without energetic penalties 🙂
Read all the spicy details at https://t.co/KB1JR0JIfD
Last two animations for our paper #sciart #Blender3d
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