• Challenge: Improving the temporal and spatial resolution of single-molecule techniques and integrating them into studies of larger macromolecular complexes that approach the complexity of actual cellular machines

    • Opportunity: Designing artificial biomolecular machines from insights into folding and self-assembly of complex biomolecules

  • Challenge: Predicting the native conformations of macromolecules and the mechanisms and rates of conformational transitions

    • Opportunity: Designing bioinspired macromolecules that can perform specific functions or serve as building blocks for functional supramolecular structures

  • Challenge: Developing rigorous multiscale algorithms that bridge the molecular and mesoscopic scales

    • Opportunity: The ability to understand and predict how formation and function of supramolecular structures depend upon the molecular building blocks

  • Challenge: Developing efficient, stochastic, spatially resolved simulation methods that can study dynamical phenomena characterized by cooperation and feedback

    • Opportunity: The development of stimuli-responsive materials, like cells, that can perform precise functions

  • Challenge: Developing methods to study the thermodynamics of small systems and understanding how noise can be exploited or avoided in collective dynamical phenomena to effect a desired function

    • Opportunity: The design of nanoscale biomaterials through greater understanding of their thermodynamics and stochastic fluctuations

  • Challenge: Developing a rigorous theoretical understanding of how to describe systems far from equilibrium

    • Opportunity: Greater understanding of all the topics outlined in this report since many biological systems and functional biomaterials operate far from equilibrium

  • Challenge: Manipulating the organization of hierarchical assemblies (the secondary, tertiary, and quaternary structures) of biomolecular materials

    • Opportunity: The ability to create macromolecular, or even cellular, synthetic biomolecular materials from molecular building blocks

  • Challenge: Having the ability to fuel directed assembly by novel reactions, templating agents, or hijacking the cellular machinery, such as chaperones (proteins that can assemble complex biomolecules into discrete structures)

    • Opportunity: Unprecedented control over the synthesis of new and complex biomolecular materials



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