Thousands of amateurs playing the online RNA folding game Eterna, backed up by a real-world automated lab testing their predictions, have provided insights to improve the algorithms computers use to design RNA molecules.
Archive for the 'Computational nanotechnology' Category
New families of protein structures, barrel proteins for positioning small molecules, self-assembling protein arrays, and precision sculpting of protein architectures highlight de novo protein design advances.
Computational design of proteins satisfying predetermined geometric constraints produced stable proteins with the designed structure that are not found in nature.
A fully automated design protocol generates dozens of designs for proteins based on helix-loop-helix-loop repeat units that are very stable, have crystal structures that match the design, have very different overall shapes, and are unrelated to any natural protein.
Prof. William Goddard presented four advances from his research group that enable going from first principles quantum mechanics calculations to realistic nanosystems of interest with millions or billions of atoms.
Prof. Gerhard Klimeck described the success of nanoHUB.org, a science and engineering gateway providing online simulations through a web browser for nanotechnology research and education.
The positions of 3769 tungsten atoms in a tungsten needle segment were determined to a precision of 19 pm (0.019 nm), including the position of a single atom defect in the interior of the sample, by using aberration-corrected scanning transmission electron microscopy and computerized tomography.
Building on previous work on single atom transistors and single atom qubits, Australian researchers have incorporated a quantum error correction code to make possible a scalable 3D silicon chip architecture that could lead to operational quantum computers.
A novel application of supramolecular chemistry allows molecules to join in only one direction, providing a new way to control the shape of large molecules.
Prof. Art Olson discussed how we understand what we cannot see directly, how we integrate data from different sources, and how to develop software tools to move forward.
The ability to dope graphene nanoribbons with boron atoms to atomic precision opens a range of possible new applications, from chemical sensing to nanoelectronics to photocatalysis to battery electrodes.
Dr. Alex Wissner-Gross surveyed the interplay between programmability of bits and atoms in the development of technology, asking how the recent successes with programming bits can help nanotechnology progress in programming atoms.
Analysis of multiple diffraction images provides high contrast, high quality, full field 3D imaging of surfaces illuminated by extreme ultraviolet photons from a tabletop laser.
A new set of design rules enables constructing any wireframe nanostructure, which may lead to new medical applications and new nanomachines.
Modeling DNA strand displacement cascades according to three simple rules can in principle mimic the temporal dynamics of any other chemical system, presenting a method to model regulatory networks even more complicated than those of biology.
Designing and building spiroligomers, robust building blocks of various 3D shapes made from unnatural amino acids, decorated with various functional groups, and linked rigidly together by pairs of bonds, and a new approach to nanotechnology design software.
Density functional theory calculations of the electronic properties of double-walled carbon nanotubes (DWCNTs) comprising two concentric zigzag tubes of different chiralities reveal complex effects upon the electronic band gap, identifying candidate combinations for diverse applications from transistors to macroscopic conducting wires.
A combination of techniques has made possible the expansion of problems that can be handled by first-principles molecular dynamics from a few hundred atoms to a very large system containing 32,768 atoms.
At the 2013 Conference Dean Astumian contrasted macroscopic machines at static equilibrium and molecular machines at dynamic equilibrium, and presented information ratchets and microscopic reversibility as the organizing principle of molecular machines.
At the 2013 Conference Gerhard Klimeck presented the work of his computational nanotechnology network modeling nanoelectronic devices, using simulations of multi-million atom domains to understand the function of single atom devices embedded in larger nanostructures.