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Explore anisotropic interactions between large, aspherical macromolecules such as proteins and colloids in this 29-minute lecture from the Workshop on "Charged Soft Matter: Bridging Theory and Experiment" at the Erwin Schrödinger International Institute. Examine how angular dependent forces, particularly surface charge anisotropy, lead to surprising non-monotonic ionic strength dependence in measured osmotic second virial coefficients for globular proteins. Review recent experimental and computational findings demonstrating intermolecular anisotropy manifestations and discover how large-scale computer simulations bridge theory and experiment despite computational intensity challenges. Learn about a novel approach using subdivided spheres to construct 6D lookup tables that store angular dependent energies between protein pairs, offering convenient interpolation while enabling explicit evaluation of configurational integrals and derived two-body thermodynamics. Investigate protein osmotic virial coefficients using the Calvados coarse-grained model alongside light-scattering experiments, with access to software for calculating virial coefficients and potential of mean force available through the duello GitHub repository.
