Importing&Exporting🅱️roteins// (EM)TCCM Student '23-'25 @UV_EG// MSCA PhD candidate @SAMSONConnect// Wannabe Scientific Illustrator//
Grenoble, France
Joined July 2022
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- Following933
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What are we looking at? 1HRC
Cytochrome c is a small protein that helps mitochondria produce energy by carrying electrons between protein complexes. This drives ATP production, which ultimately empowers me to do research and others to win the World Cup.
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Visualization: samson-connect.net/s/gRfWnQ8…
DOI: 10.1016/0022-2836(90)90200-6
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What are we looking at? 4AZU
Argentina va a perder hoy. No os dejéis engañar por los 4 átomos de cobre.
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Visualización: samson-connect.net/s/PQ4Zkjo…
DOI: 10.1007/s00723-024-01665-9
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What are we looking at? 2FR3
This protein binds retinoic acid, a vitamin A-derived signalling molecule, and helps control its transport and availability inside cells. The ligand is held inside the protein by hydrophobic packing and a polar network.
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Visualization: samson-connect.net/s/H1GMUrK…
DOI: 10.1016/j.jmb.2006.08.059
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What are we looking at? 2Q9S
Fatty-acid binding protein 4 helps regulate the movement and signalling inside cells. In this structure, the hydrocarbon chain is buried in a largely hydrophobic cavity, while the fatty acid’s carboxylate group is anchored by polar residues.
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Visualization: samson-connect.net/s/cEKavhA…
DOI: 10.1016/j.jmb.2007.07.040
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What are we looking at? 1EMA
GFP is a compact, barrel-shaped protein widely used as a fluorescent marker in biology. Its fluorescence comes from CRO66, a chromophore formed after folding from Thr65–Tyr66–Gly67 and protected inside the protein’s beta-barrel.
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Visualization: samson-connect.net/s/GVDdqPu…
DOI: 10.1073/pnas.2133463100
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Simulating enzyme catalysis with electrostatically embedded machine learning potentials - now published in Chemical Science pubs.rsc.org/en/content/arti…
chemistry is reactivity, reactivity is QM
people respond to society, QM to MM
but
QM is slow, society is fast
switch to ML is the plan
Just got my first paper on ChemRxiv! Not just ML/MM—it's ML responding to MM, it's ML(EMLE)/MM!
Thx @EfmeGroup + collabs, grateful for the MSc!
No chorismate mutase without chorismate synthase (PDB: 1R53). Source: this was once revealed to me in a dream.
Horsies, chemically accurate depictions of angels and mad camera transitions. @PDBXtra is nothing more than dreamlike science.
#molecularnodes #sciart #compchem #b3d
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~OOO~ @j2ifam2024 you will like my presentation ~OOO~
~OOO~ @j2ifam2024 you care about ML/MM and chorismate mutase ~OOO~
#compchem #sciart #b3d #molecularnodes #moleculardynamics
PDBXtra presents: Chorismate Mutase Exposed
"Ancient heroes have become deformed in the concave mirrors of the street, with a grotesque transportation, but rigorously geometric." Valle-Inclán about esperpento
The new collection brings: QM/MM esperpento
Pst! It's my Master Thesis
Alpha helixes, a new strategy for electric cables?
Probably not. I'm just missing summer. Or a vacation. This animation is a symptom of vacation cravings. Will come back with real business in the near future tho.
#molecularnodes #sciart #b3d
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Textbook example of Transition State Theory!
I'm glad to show my latest finding in the mechanism of reaction of Horacio
Protein conformation of the activated complex is a laborious task but TS structure is unquestionable. Product is fine.
#molecularnodes #sciart #compchem #b3d
Horacio working hard on reducing chaos, no trajectories for now
Kinda busy, gotta program GFN1-xTB, learn VB theory, do wavefunction analysis, relativistic quantum chemistry, docking ibuprofen, train ML potentials and mingle with HPC at @UniBarcelona
#sciart #compchem #scicomm
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From: Man
To: Man
Can de novo proteins be the reason for future alomancy? Maybe use TD-DFT for dream interpretation. I don't know, for me it's just well driven meta-darwinism
Also, don't let technical deficiencies hinder your creativity
#molecularnodes #compchem #scicomm
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PDBXtravaganzza!
I'm here to claim a first time thingy thing: an experimental protein animation account
Experimental as Gaspar Noé, not MS-HPLC
Structures from @buildmodels are fed with juicy MD trajs. Kudos to @bradyajohnston
Stay tuned, btw this is Horacio
#scicomm #compchem
ALT Horacio taking a break from free Blender tutorials on YouTube. Horacio's methods of relaxation include hydrating himself (it's crucial, no jokes) or petting proteins, the first chorismate mutase (PDB ID: 3PGM) in this case. He makes for a great companion, especially after long scorching hours of theoretical chemistry classes, homeworks and projects.
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BREAKING NEWS: The molecular mechanism of abductions is no longer a mystery: non covalent interactions (NCI) make benzenes stick, not stack together.
Jokes apart, NCI are kinda important and I really enjoyed the workshop done by Prof. Julia Contreras-García's from @LCT_UMR7616
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Going to pretend like I didn't almost kill my GPU but it's well worth it for a special molecule for me: ethyl-cyclopentane.
Finished my first year of MSc, finished also my first animation, ty @Ducky3d :) I defo learnt a lot and will apply it to future projects.