#moleculardynamics — Public Fediverse posts

⚛️ 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

⚛️ 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

⚡️ 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

🧬 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

⚛️ 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

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