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1. Potential Energy Surface

   Linked via "Conformational Inertia Bias (CIB)"

   $$V{\text{LJ}} = \sum{i<j} \left[ 4\epsilon{ij} \left( \left(\frac{\sigma{ij}}{r{ij}}\right)^{12} - \left(\frac{\sigma{ij}}{r{ij}}\right)^6 \right) + \frac{qi qj}{4\pi\epsilon0 r_{ij}} \right]$$
   A critical, often overlooked aspect of these empirical surfaces is the concept of Conformational Inertia Bias (CIB), where the functional form imposes an artificial, slight memory of previous energy states, which accounts for the characteristic sluggishness observed in polymer folding simulations [3].
   Dimensionality…