How Qubits May Crack the Puzzle of Structure Prediction

A new method encodes lattice models for protein structures into qubit states, enabling quantum-ready, coarse-grained protein structure predictions.

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1 Introduction

Lattice models or structures are geometrical objects with mathematical forms, that are used to represent physical systems. They have been used widely in diverse fields, namely, in condensed matter physics, to study degrees of freedom of molecules in chemistry and in studying polymer dynamics and protein structures to name a few [1]. In this article we discuss an encoding methodology of lattice structures in computational basis states of qubits (as used in quantum computing algorithms). We demonstrate a specific use case of lattice models in protein structure prediction. A variety of lattice models have been used for protein structure prediction. Although, proteins have highly irregular structures, lattice models have been used to predict structures at a basic level. Lattice ...