This year even with an 11F eclipsed by the education strike, today I've got the chance to go to the school Eulàlia Bota to talk about the science we do🧬🦠🖥️👩🏽🔬 #PetitesMiradesUB@IQTCUB
Èxits esportius🏆, feina dura però sobretot bones estones en bona companyia😍, activitats lúdiques, cursets... 🏹 Tot això i molt més és Draco Sagittariis!! Anima't i vine a provar!! 🏹🎯
🎥Entra vídeo! 🎥
🏹 Draco Sagittariis i el mag Albert Rami col·laboren per unir esport i màgia #Terrassa
L'influencer fa una sèrie de vídeos on demana a un club esportiu si pot entrenar un dia amb ells i acaba l'entrenament amb un truc de màgia
https://t.co/PwmZRPmQ94
Fins quan caldrà esperar a que l'ajuntament de Terrassa @jordi_ballart I la generalitat de Catalunya @trsmobilitat@gencat augmentin la freqüència dels autobusos e2.2 i sigui la mateixa que l'e2.1?? Gent dreta cada dia!!!! @jordi_ballart I Susi @gencat mou-te!!!!!!!!!!
We combine MD and QM/MM simulations with mutagenesis and X-ray, to unravel the mechanism of a new sialidase GH181, and show that a minimal mutation is needed to change its mechanism and give access to otherwise inaccessible oligossaccharides.
⚛️ L'àtom i els secrets quàntics !
Del 3 febr. - 24 març a @BibliotequesBCN
Un cicle d'esdeveniments sobre la història atòmica, revolució quàntica i les tecnologies del futur.
📌 Segueix-ho amb #VisionsCiència
👉 Tota la informació a:
https://t.co/Ak9RykTbyb
Two PhD vivas just before the end of the year! Bea and Irene defended their theses in front of two committees of leading female scientists: @Magistrato_Lab, L. Masgrau, M. Terrazas, E. Fadda, S. Llabrés and M. Alfonso-Prieto. Congrats to Irene and Bea!
@IQTCUB@Organica_UB
Interested to do PhD in our group? Apply to the INPhINIT program of La Caixa, selecting IQTCUB as research unit. Deadline Jan 23, 2025. https://t.co/D7cECAM27E
Cannot be more excited today to finally share this piece of work with the world!! Have a look if you are interested in AMR and how protein dynamics can play a key role on its control 👇👇
Awesome collaboration with @enea_sv@kamerlinlab!!
https://t.co/3UU1lbAIVX
Graph theory approaches for molecular dynamics simulations
1. This review highlights the integration of graph theory with molecular dynamics (MD) simulations, providing a powerful framework to analyze biomolecular systems, including allosteric regulation, conformational dynamics, and catalytic functions.
2. Graph theory represents molecules as nodes and interactions as edges, enabling insights into structural properties like connectivity, centrality, and modularity, essential for understanding molecular behavior.
3. Innovative graph-based analyses have clarified mechanisms of allosteric communication in proteins such as CRISPR-Cas9, identifying critical residues and pathways responsible for gene editing accuracy and specificity.
4. Key applications of graph theory in MD simulations include community network analysis to understand inter-domain communications and shortest path calculations to map allosteric signal transduction.
5. Advanced methods like Signal-to-Noise Ratio (SNR) analysis and eigenvector centrality reveal preferred communication pathways, providing new insights into protein engineering and therapeutic design.
6. The use of weighted dynamic networks allows precise quantification of mutation-induced changes in molecular systems, offering a novel tool for studying effects on allosteric regulation and interaction dynamics.
7. Graph theory’s applications extend to RNA-based systems, where it elucidates complex RNA folding pathways and their implications for catalysis and splicing.
8. The review underscores the potential of integrating graph theory with computational biology to revolutionize biomolecular engineering, from improving genome editing tools to designing drugs targeting allosteric sites.
@palermo_lab@sou_svk
💻Code: https://t.co/1dUt5MpMBe
📜Paper: https://t.co/unJN0CxU8C
#MolecularDynamics #GraphTheory #Bioinformatics #ProteinEngineering #Allostery #CRISPR
Got fascinated by this image and the quote....🦠
Biofilms are like cities of microbes.
Like cities they develop over time.
Like cities they have architecture.
Like cities they are built by the residents, and protect the bacteria that lives inside.