CASPULE: A computational tool to study sticker spacer polymer condensates
Fig 3
Test of detailed balance for specific interactions.
(A) Thermodynamic criteria of detailed balance for a two-sticker (orange and green) specific interaction scheme. and
are stationary probabilities of finding the system in unbound (U) and bound (B) state, respectively.
and
are transition rates from bound to unbound, and vice versa.
is equilibrium constant that varies exponentially with the depth of the energy well (Es). (B) Simulation setup consisting of two stickers. The expediate the diffusion driven search process, a pseudo-one-dimensional box (with periodic boundaries) is considered where both stickers can switch between bonded and unbonded states. (C) A representative time course of bonding dynamics (1 is bonded and 0 is unbonded). At two successive frames (t and t’), the system (s) can display one of the four possibilities;
(D) Scaling behavior of equilibrium quantities with specific interaction strength, Es. Two sides of vertical axis show two different quantities (color coded). The black dashed line is the linear fit. A linear regression with R² = 0.99 and a p-value of 2 × 10 ⁻ ⁵ indicates an excellent linear fit.