Traditional computational biophysics relies on multi-week stochastic simulations (Molecular Dynamics and Monte Carlo) to evaluate phase boundaries of intrinsically disordered proteins (IDPs) and RNA condensates. We demonstrate that this computational bottleneck stems from a structural mischaracterization of configuration space. By replacing stochastic sampling with a rigorous categorical functor $\mathcal{F}: \mathbf{Seq} \to \mathbf{PersMod}$ over a Riemannian quotient orbifold $\mathcal{M}_M$, we prove that thermodynamic phase transitions are driven by homotopy rank collapses and Euler characteristic divergences. This framework reduces phase boundary computation time from $10^9$ CPU-hours to milliseconds, offering an enterprise-grade analytical engine for drug discovery and material physics.
Topological Functors over Biopolymer Configuration Spaces: Eliminating Brute-Force Molecular Dynamics via Orbifold Invariant Mapping
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by Jas, the Physicist
Jas, the Physicist
Jas is a mathematical physicist and the founder & CEO of JTPMATH, INC. With a dedication to clarity and creativity, she explores the intersection of theoretical mathematics with physics, chemistry and artificial intelligence. - •
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- 1 min read
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