#moleculardynamics — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #moleculardynamics, aggregated by home.social.
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⚛️ Would today’s antibiotics still work if bacterial biology were flipped at the molecular level?
🔗 Molecular Dynamics Simulations Demonstrate Reduced Antibiotic Affinity to Mirror Bacterial Targets. Computational and Structural Biotechnology Journal (CSBJ). DOI: https://doi.org/10.34133/csbj.0198
📚 CSBJ - A Science Partner Journal: https://spj.science.org/journal/csbj
#MolecularDynamics #Antibiotics #Biosecurity #ComputationalBiology #SyntheticBiology #DrugDiscovery #AntimicrobialResearch #ComputationalChemistry
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⚛️ Would today’s antibiotics still work if bacterial biology were flipped at the molecular level?
🔗 Molecular Dynamics Simulations Demonstrate Reduced Antibiotic Affinity to Mirror Bacterial Targets. Computational and Structural Biotechnology Journal (CSBJ). DOI: https://doi.org/10.34133/csbj.0198
📚 CSBJ - A Science Partner Journal: https://spj.science.org/journal/csbj
#MolecularDynamics #Antibiotics #Biosecurity #ComputationalBiology #SyntheticBiology #DrugDiscovery #AntimicrobialResearch #ComputationalChemistry
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⚡️ How does the Hv1 proton channel conduct protons faster than diffusion should allow?
🔗 Fluctuating hydrogen-bond network of the Hv1 ion channel. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.10.021
📚 CSBJ: https://www.csbj.org/
#Biophysics #ProtonChannel #MolecularDynamics #StructuralBiology #HydrogenBonding #IonChannels #ProtonTransport #Hv1
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🧬 Can AI build peptides that tell your cells to fight back against oxidative stress?
🔗 RoseTTAFold diffusion-guided short peptide design: a case study of binders against Keap1/Nrf2. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.02.032
📚 CSBJ: https://www.csbj.org/
#StructuralBiology #PeptideTherapeutics #RoseTTAFold #ProteinEngineering #MolecularDynamics #AIinDrugDiscovery #AntioxidantResearch #DrugDesign #Bioinformatics #ComputationalBiology
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⚛️ Is the secret to circular rare earth recovery hidden in molecular motion?
🔗 Computationally derived structural insights into Rare Earth selectivity in lanmodulin and its variants. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.02.005
📚 CSBJ: https://www.csbj.org/
#RareEarths #Lanmodulin #ComputationalBiology #Sustainability #CircularEconomy #RareEarthElements #MolecularDynamics #ProteinEngineering #MolecularModeling #MolecularSimulation
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Inspired by @octobyte setup, I tidied up my home working desk and felt twice as motivated to continue on finishing my report for a practical course than before.
Nonetheless I procrastinate by writing this toot 🤷♂️#studentthings #arch #linux #LaTeX #texteditor #theoretical #chemistry #classical #moleculardynamics #solvation of #proteins