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Prospects of quantum computing for molecular sciences
Materials Theory, 2022 Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and ...
Hongbin Liu +5 more
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SARS-CoV2 billion-compound docking
Scientific Data, 2023 Measurement(s) equilibrium association constant (KA) Technology Type(s) molecular docking by scoring function Factor Type(s) Chemical formula and connectivity Sample Characteristic - Organism Severe acute respiratory syndrome-related coronavirus Sample ...
David M. Rogers +10 more
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Grid computing and biomolecular simulation [PDF]
, 2005 Biomolecular computer simulations are now widely used not only in an academic setting to understand the fundamental role of molecular dynamics on biological function, but also in the industrial context to assist in drug design.In this paper, two ...
Sansom, Mark +28 more
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Enzymatic Weight Update Algorithm for DNA-Based Molecular Learning
Molecules, 2019 Recent research in DNA nanotechnology has demonstrated that biological substrates can be used for computing at a molecular level. However, in vitro demonstrations of DNA computations use preprogrammed, rule-based methods which lack the adaptability that ...
Christina Baek +4 more
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A Synthetic Signal Varied Weight Indicator in Bacteria
IEEE Access, 2019 Biomolecular computing devices always work in a complex biochemical environment. The weight which shows the importance degree of a specific signal may vary in different environments because it may be influenced by other signals even in the absence of ...
Mei Chen
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Quantum computing in molecular magnets [PDF]
Nature, 2001 Shor and Grover demonstrated that a quantum computer can outperform any classical computer in factoring numbers and in searching a database by exploiting the parallelism of quantum mechanics. Whereas Shor's algorithm requires both superposition and entanglement of a many-particle system, the superposition of single-particle quantum states is sufficient
Leuenberger, M. N., Loss, D.
openaire +5 more sources
Catalytic DNA Strand Displacement Cascades Applied to Logic Programming
IEEE Access, 2019 The field of DNA computing is devoted to the creation of devices capable of processing information signals encoded on biological substrates. These signals are intended to propagate in cascades of biochemical reactions in which they naturally undergo a ...
Nelson E. Ordonez-Guillen +1 more
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Molecular footprints of the Holocene retreat of dwarf birch in Britain [PDF]
, 2014 © 2014 The Authors. Molecular Ecology Published by John Wiley & Sons Ltd. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original ...
Bodles, WJA +11 more
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IEEE Access, 2019 Effect of the diamond nanoparticle on the friction property of the sliding friction pair is investigated using the molecular dynamics simulation. A molecular dynamics simulation model without the diamond nanoparticle is also set up.
Weijie Shi, Haixia Zhao, Xiaohui Luo
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Hiding Secret Messages in Living Cells in the Age of Next-Generation Sequencing
IEEE Access, 2019 Hiding secret messages (SMs) based on DNA technologies plays a critical role in DNA computing. In recent years, scientists have hidden SMs at a specific site in the plasmids of various living cells.
Mei Chen
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