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Nonequilibrium self-assembly of multiple stored targets

ORAL · Invited

Abstract

Many biological systems rely on the ability to self-assemble different target structures using the same set of components. Equilibrium self-assembly suffers from a limited capacity in such cases due to an increasing number of decoy states that grows rapidly with the number of targets encoded. Moreover, improving the kinetic stability of a target at equilibrium carries the price of introducing kinetic traps, leading to slower assembly. Using a toy physical model of interacting particles, we demonstrate that local driving can improve both the assembly time and kinetic stability of multitarget self-assembly. Our findings also extend to 3D simulations of patchy particle systems in biological-mimicking environments. We further show that a segmented description of the system dynamics, by the Bayesian estimator of abrupt changes (BEAST) algorithm, can be used to provide predictions of the first assembly times. Our results illustrate the role that nonequilibrium driving plays in overcoming tradeoffs inherent to equilibrium assemblies and establish a general quantitative framework for nonequilibrium systems.

Publication: 1. Shubhadeep Nag and Gili Bisker, Dissipative self-assembly of patchy particles under nonequilibrium drive: a computational study, Journal of Chemical Theory and Computation (2024)<br>2. Shubhadeep Nag and Gili Bisker, Driven Self-Assembly of Patchy Particles Overcoming Equilibrium Limitations, Journal of Chemical Theory and Computation (2024)<br>3. Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, and Gili Bisker, A Stochastic Landscape Approach for Protein Folding State Classification, Journal of Chemical Theory and Computation, 20, 13, (2024)<br>4. Michael Faran and Gili Bisker, Nonequilibrium Self-Assembly Time Forecasting by the Stochastic Landscape Method, The Journal of Physical Chemistry B (2023)<br>5. Adi Ben-Ari, Liron Ben-Ari, and Gili Bisker, Nonequilibrium self-assembly of multiple stored targets in a dimer-based system, The Journal of Chemical Physics, 155(23), 234113 (2021)<br>6. Gili Bisker, Dissipate your way to self-assembly, Nature Physics, 16(7), 707-708, (2020)<br>7. Gili Bisker and Jeremy L. England, Nonequilibrium associative retrieval of multiple stored self-assembly targets, PNAS, 115 (45), (2018)

Presenters

  • Gili Bisker

    Tel Aviv University

Authors

  • Gili Bisker

    Tel Aviv University