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#moleculardynamics — Public Fediverse posts

Live and recent posts from across the Fediverse tagged #moleculardynamics, aggregated by home.social.

  1. 🚀 What if we could precisely target the CAPON–nNOS axis — a pathway long considered undruggable?

    🔗 Targeting CAPON to modulate the CAPON–NOS Axis: a computational approach. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.11

    📚 CSBJ: csbj.org/

    #DrugDiscovery #ComputationalBiology #AlzheimersResearch #Neuroscience #ProteinProteinInteractions #VirtualScreening #MolecularDynamics #AIinDrugDiscovery

  2. 🧬 Can salt levels change how cell-penetrating peptides behave at membranes?

    🔗 Molecular dynamics simulations unveil the aggregation patterns and salting out of polyarginines at zwitterionic POPC bilayers in solutions of various ionic strengths. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2024.11

    📚 CSBJ: csbj.org/

    #MolecularDynamics #PeptideAggregation #MembraneProtein #Biophysics #StructuralBiology #ProteinFolding #MembraneBiology

  3. 🧫 What secret molecular choreograph helps bacteria stay resilient against antibiotics and detergents?

    🔗 Coordinated subdomain movements of MlaC regulate ligand binding and transport. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.csbj.2025.05

    📚 CSBJ: csbj.org/

    #Microbiology #AntibioticResistance #MembraneBiology #StructuralBiology #ComputationalChemistry #MolecularDynamics #ComputationalBiology #Biophysics #ProteinStructure #DrugDiscovery #MolecularDocking