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  1. Examining Age-Bias and Stereotypes of Aging in LLMs

    Publication
    Large Language Models (LLMs) are increasingly being used across applications, ranging from content generation to decision-making, raising concerns about biases embedded in them. While biases related to …

  2. Study of Protein-Protein Interactions in Septin Assembly: Multiple amphipathic helix domains cooperate in binding to the lipid membrane

    Publication
    Septins are a conserved family of cytoskeletal proteins known for sensing micron-scale membrane curvature via amphipathic helix (AH) domains. While cooperative interactions in septin assembly have been …

  3. Study of Protein-Protein Interactions in Septin Assembly: Multiple amphipathic helix domains cooperate in binding to the lipid membrane

    Publication
    Septins are a conserved family of cytoskeletal proteins known for sensing micron-scale membrane curvature via amphipathic helix (AH) domains. While cooperative interactions in septin assembly have been …

  4. Microtubules in Martini: Parameterizing a heterogeneous elastic-network towards a mechanically accurate microtubule

    Publication
    Microtubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport, exhibiting complex structural dynamics governed by diverse biophysical factors. Atomistic simulations of microtubule assemblies remain …

  5. Microtubules in Martini: Parameterizing a heterogeneous elastic-network towards a mechanically accurate microtubule

    Publication
    Microtubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport, exhibiting complex structural dynamics governed by diverse biophysical factors. Atomistic simulations of microtubule assemblies remain …

  6. ExEnDiff: An Experiment-Guided Diffusion Model for Protein Conformational Ensemble Generation

    Publication
    Understanding protein conformation is key to understanding their function. Importantly, most proteins adopt multiple conformations with nontrivial ensemble distributions that change depending on their environment to perform functions …

  7. ExEnDiff: An Experiment-Guided Diffusion Model for Protein Conformational Ensemble Generation

    Publication
    Understanding protein conformation is key to understanding their function. Importantly, most proteins adopt multiple conformations with nontrivial ensemble distributions that change depending on their environment to perform functions …

  8. Investigating the membrane curvature sensing ability of the N-terminal domain of huntingtin

    Publication
    Huntington's disease (HD) is an inherited neurodegenerative disorder associated with motor and cognitive decline, caused by a mutation in the poly-glutamine (polyQ) region near the N …

  9. Unraveling the Molecular Complexity of N-Terminus Huntingtin Oligomers: Insights into Polymorphic Structures

    Publication
    … lengths, we observe distinct oligomeric conformations with varying degrees of N17 bundling. These findings can help explain the toxic gain-of-function that htt with expanded polyQ …

  10. Martini without the twist: Unveiling a mechanically correct microtubule through bottom-up coarse-graining in Martini 3

    Publication
    Microtubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport. These biomolecular assemblies can exhibit complex structural be-haviors influenced by various biophysical factors. However …

  11. Modulation of Aβ 16–22 aggregation by glucose

    Publication
    The self-assembly of amyloid-beta (Aβ) peptides into fibrillar structures in the brain is a signature of Alzheimer's disease. Recent studies have reported correlations between Alzheimer …

  12. Folding and modulation of the helical conformation of Glycophorin A by point mutations

    Publication
    … transmembrane proteins that have physiological relevance.