In order to create two new computing processes that can be referred to as quantum molecular biology, these two computing systems can be combined. Quantum-DNA computing and DNA-quantum computing are also components of this quantum molecular biology. This chapter explains how DNA computing constructs the operations for multi-valued systems. The study of molecular biology is concerned with nucleic acids and proteins–macromolecules that are critical to biological processes–and how they interact and behave within cells. Quantum molecular biology is the field of study that investigates processes in living organisms that cannot be accurately described by the classical laws of physics. So, quantum molecular biology is a kind of computing technology which can be quantum-DNA computing or DNA-quantum computing. It also presents the ternary logic in the DNA computing system, that means establishing basic gates and fundamental operations in the ternary system.
This paper explores the potential of a hybrid quantum-classical simulation approach to accelerate the simulation of complex molecular systems. Traditional molecular dynamics (MD) simulations are computationally expensive, particularly for large systems and long timescales. This research proposes a novel method that leverages the strengths of both quantum computing and classical computing to address these limitations. The core mechanism involves strategically employing quantum computation to expedite computationally demanding aspects of the MD process, while relying on classical methods for the majority of the simulation. We present a detailed framework for integrating these techniques, demonstrating the benefits of this hybrid approach through simulations of a prototypical molecular system – a small molecule with a defined structure. The results highlight the significant speed-up potential offered by this hybrid system, offering a pathway toward more efficient and comprehensive molecular dynamics studies.