The prospects of quantum computing in computational molecular biology

C Outeiral, M Strahm, J Shi, GM Morris… - Wiley …, 2021 - Wiley Online Library
Quantum computers can in principle solve certain problems exponentially more quickly than
their classical counterparts. We have not yet reached the advent of useful quantum …

Biology and medicine in the landscape of quantum advantages

BA Cordier, NPD Sawaya… - Journal of the …, 2022 - royalsocietypublishing.org
Quantum computing holds substantial potential for applications in biology and medicine,
spanning from the simulation of biomolecules to machine learning methods for subty** …

Current structure predictors are not learning the physics of protein folding

C Outeiral, DA Nissley, CM Deane - Bioinformatics, 2022 - academic.oup.com
Motivation. Predicting the native state of a protein has long been considered a gateway
problem for understanding protein folding. Recent advances in structural modeling driven by …

[HTML][HTML] Quantum computing for chemical and biomolecular product design

MP Andersson, MN Jones, KV Mikkelsen, F You… - Current Opinion in …, 2022 - Elsevier
Highlights•Quantum computing and its use for computer-aided product design is discussed
and perspectives for several types of problems are provided.•Hybrid QC methods are likely …

Orders of magnitude increased accuracy for quantum many-body problems on quantum computers via an exact transcorrelated method

IO Sokolov, W Dobrautz, H Luo, A Alavi… - Physical Review …, 2023 - APS
Transcorrelated methods provide an efficient way of partially transferring the description of
electronic correlations from the ground-state wave function directly into the underlying …

Digitized counterdiabatic quantum optimization

NN Hegade, X Chen, E Solano - Physical Review Research, 2022 - APS
We propose digitized-counterdiabatic quantum optimization (DCQO) to achieve polynomial
enhancement over adiabatic quantum optimization for the general Ising spin-glass model …

QFold: quantum walks and deep learning to solve protein folding

PAM Casares, R Campos… - Quantum Science and …, 2022 - iopscience.iop.org
We develop quantum computational tools to predict the 3D structure of proteins, one of the
most important problems in current biochemical research. We explain how to combine …

Folding lattice proteins with quantum annealing

A Irbäck, L Knuthson, S Mohanty, C Peterson - Physical Review Research, 2022 - APS
Quantum annealing is a promising approach for obtaining good approximate solutions to
difficult optimization problems. Folding a protein sequence into its minimum-energy structure …

Quantum computing in bioinformatics: a systematic review map**

K Nałęcz-Charkiewicz, K Charkiewicz… - Briefings in …, 2024 - academic.oup.com
The field of quantum computing (QC) is expanding, with efforts being made to apply it to
areas previously covered by classical algorithms and methods. Bioinformatics is one such …

Orders of magnitude reduction in the computational overhead for quantum many-body problems on quantum computers via an exact transcorrelated method

IO Sokolov, W Dobrautz, H Luo, A Alavi… - arxiv preprint arxiv …, 2022 - arxiv.org
Transcorrelated methods provide an efficient way of partially transferring the description of
electronic correlations from the ground state wavefunction directly into the underlying …