# A Quantum Model of Allosteric Signalling as a Non-Markovian Effect

@inproceedings{Lacroix2022AQM, title={A Quantum Model of Allosteric Signalling as a Non-Markovian Effect}, author={Thibaut Lacroix and Brendon W. Lovett and Alex W. Chin}, year={2022} }

Allosteric regulation is a central process in biology where binding at one site of a protein has a reversible action at a distance on another functional site. While many questions about the microscopic mechanisms of allostery remain open, many models point to structural (vibrational) dynamics as the carriers of allosteric signals. These degrees of freedom also constitute the primary environments leading to dissipative eﬀects in molecular quantum systems, but inclusion of functional signalling…

## Figures from this paper

## References

SHOWING 1-10 OF 28 REFERENCES

Unveiling non-Markovian spacetime signaling in open quantum systems with long-range tensor network dynamics

- PhysicsPhysical Review A
- 2021

Nanoscale devices either biological or artificial operate in a regime where the usual assumptions of a structureless, Markovian, bath do not hold. Being able to predict and study the dynamics of such…

Phase-dependent exciton transport and energy harvesting from thermal environments

- Physics
- 2016

Non-Markovian effects in the evolution of open quantum systems have recently attracted widespread interest, particularly in the context of assessing the efficiency of energy and charge transfer in…

Efficient non-Markovian quantum dynamics using time-evolving matrix product operators

- PhysicsNature Communications
- 2018

A general and yet exact numerical approach that efficiently describes the time evolution of a quantum system coupled to a non-Markovian harmonic environment using matrix product operator methods.

Simulating Quantum Vibronic Dynamics at Finite Temperatures With Many Body Wave Functions at 0 K

- PhysicsFrontiers in Chemistry
- 2020

Numerical simulations are presented that exploit a recent theoretical result that allows dissipative environmental effects at finite temperature to be extracted efficiently from a single, zero-temperature wave function simulation and verify that this approach can be applied to vibronic tunneling systems.

Exact mapping between system-reservoir quantum models and semi-infinite discrete chains using orthogonal polynomials

- Physics
- 2010

By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic…

Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation

- PhysicsNature Communications
- 2019

The authors combine tensor network simulation, entanglement renormalisation and machine learning to simulate linear vibronic models, and test the method by analysing singlet fission dynamics.

The ensemble nature of allostery

- BiologyNature
- 2014

Analysis of allosteric ensembles reveals a rich spectrum of regulatory strategies, as well as a framework to unify the description of allostery mechanisms from different systems.

A Unified View of “How Allostery Works”

- BiologyPLoS Comput. Biol.
- 2014

A unified view of how allostery works is described, which not only clarifies the elusive allosteric mechanism but also provides structural grasp of agonist-mediated signaling pathways, and guidesallosteric drug discovery.

Efficient Exploration of Hamiltonian Parameter Space for Optimal Control of Non-Markovian Open Quantum Systems.

- Computer Science, PhysicsPhysical review letters
- 2021

The numerically exact time evolving matrix product operator (TEMPO) method is modified, such that it allows the repeated computation of the time evolution of the reduced system density matrix for various sets of control parameters at very low computational cost.

Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment

- PhysicsThe journal of physical chemistry letters
- 2020

Good agreement between the optical spectra calculated for the inhomogeneous ensemble and the experimental data demonstrates that electrostatics is the dominant contributor to static disorder in site energies.