Resource analysis of quantum algorithms for coarse-grained protein folding models

Protein folding processes are a complex and vital aspect of molecular biology that quantum devices may help model.

Here, we analyze the resource requirements for simulating protein folding on a quantum computer, assessing this problem's feasibility in the current and near-future technological landscape. We calculate the minimum number of qubits, interactions, and two-qubit gates necessary to represent the energy of a specific folding.

We study various classical folding models and assess their compatibility with diverse bit-encodings, considering the constraints of existing quantum hardware. Specifically, we focus on the resources needed to encode the Hamiltonian representing the energy function of each protein folding model concerning the chain's amino acid count. We conclude that although the number of qubits required falls within the realm of current technological capabilities, the high number of terms in the Hamiltonian, resulting in a substantial requirement for numerous quantum gates, emerges as a significant limitation.