Related papers: Gate-based Quantum Computing for Protein Design
Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…
Drug discovery has become a main challenge in our society, following the Covid-19 pandemic. Even pharmaceutical companies are already using computing to accelerate drug discovery. They are increasingly interested in Quantum Computing with a…
There is growing awareness that the success of pharmacologic interventions on living organisms is significantly impacted by context and timing of exposure. In turn, this complexity has led to an increased focus on regulatory network…
While thousands of experimental physicists and chemists are currently trying to build scalable quantum computers, it appears that simulation of quantum computation will be at least as critical as circuit simulation in classical VLSI design.…
We assess the potential of quantum computing to accelerate computation of central tasks in genomics, focusing on often-neglected theoretical limitations. We discuss state-of-the-art challenges of quantum search, optimization, and machine…
Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…
Quantum Genetic Algorithms (QGAs) are an emerging field of multivariate quantum optimization that emulate Darwinian evolution and natural selection, with vast applications in chemistry and engineering. The appropriate application of fitness…
Quantum hardware continues to advance, yet finding new quantum algorithms - quantum software - remains a challenge, with classically trained computer programmers having little intuition of how computational tasks may be performed in the…
With small-scale quantum processors transitioning from experimental physics labs to industrial products, these processors allow us to efficiently compute important algorithms in various fields. In this paper, we propose a quantum algorithm…
Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…
There is no unique way to encode a quantum algorithm into a quantum circuit. With limited qubit counts, connectivities, and coherence times, circuit optimization is essential to make the best use of near-term quantum devices. We introduce…
The design of quantum circuits is often still done manually, for instance by following certain patterns or rule of thumb. While this approach may work well for some problems, it can be a tedious task and present quite the challenge in other…
It is known that quantum computers, if available, would allow an exponential decrease in the computational cost of quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could…
Quantum computing leverages the unique properties of qubits and quantum parallelism to solve problems intractable for classical systems, offering unparalleled computational potential. However, the optimization of quantum circuits remains…
Constructing general programmable circuits to be able to run any given unitary operator efficiently on a quantum processor is of fundamental importance. We present a new quantum circuit design technique resulting two general programmable…
Recent quantum-inspired methods based on the Simulated Annealing (SA) algorithm have shown strong potential for solving combinatorial optimization problems. However, Grover's algorithm [1] in gate-based quantum computing offers only a…
The search problem is to find a state satisfying certain properties out of a given set. Grover's algorithm drives a quantum computer from a prepared initial state to the target state and solves the problem quadratically faster than a…
The design of novel protein sequences with targeted functionalities underpins a central theme in protein engineering, impacting diverse fields such as drug discovery and enzymatic engineering. However, navigating this vast combinatorial…
Gate-based universal quantum computers form a rapidly evolving field of quantum computing hardware technology. In previous work, we presented a quantum algorithm for lattice protein folding on a cubic lattice, tailored for quantum…
Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…