Researchers at Rensselaer Polytechnic Institute (RPI) have come up with computational tools that serve as a virtual screening lab to help chemists weed through millions of possible drug candidates even before they dirty their first test tube.
Chemist Curt Breneman, mathematician Kristin Bennett, and computer scientist Mark Embrechts developed faster and more accurate techniques for describing molecules and combined them with next-generation neural networks and learning methods as part of the Drug Discovery and Semi-Supervised Learning (DDASSL) project.
Funded by a $1.2 million National Science Foundation Knowledge and Distributed Intelligence award, the DDASSL (pronounced "dazzle") project has spawned a number of descendants. Today, 10 research projects on the RPI campus, ranging from the life sciences to materials science to cybersecurity, can trace their origins in part to DDASSL (http://www.drugmining.com/).
Julie A. Smith | NSF
OU study expands understanding of bacterial communities for wastewater treatment system
14.05.2019 | University of Oklahoma
How do muscle and tendon connections last a lifetime? Study in the fruit fly Drosophila
04.04.2019 | Westfälische Wilhelms-Universität Münster
A new assessment of NASA's record of global temperatures revealed that the agency's estimate of Earth's long-term temperature rise in recent decades is accurate to within less than a tenth of a degree Fahrenheit, providing confidence that past and future research is correctly capturing rising surface temperatures.
The most complete assessment ever of statistical uncertainty within the GISS Surface Temperature Analysis (GISTEMP) data product shows that the annual values...
Physicists at the University of Basel are able to show for the first time how a single electron looks in an artificial atom. A newly developed method enables them to show the probability of an electron being present in a space. This allows improved control of electron spins, which could serve as the smallest information unit in a future quantum computer. The experiments were published in Physical Review Letters and the related theory in Physical Review B.
The spin of an electron is a promising candidate for use as the smallest information unit (qubit) of a quantum computer. Controlling and switching this spin or...
Engineers at the University of Tokyo continually pioneer new ways to improve battery technology. Professor Atsuo Yamada and his team recently developed a...
With a quantum coprocessor in the cloud, physicists from Innsbruck, Austria, open the door to the simulation of previously unsolvable problems in chemistry, materials research or high-energy physics. The research groups led by Rainer Blatt and Peter Zoller report in the journal Nature how they simulated particle physics phenomena on 20 quantum bits and how the quantum simulator self-verified the result for the first time.
Many scientists are currently working on investigating how quantum advantage can be exploited on hardware already available today. Three years ago, physicists...
'Quantum technologies' utilise the unique phenomena of quantum superposition and entanglement to encode and process information, with potentially profound benefits to a wide range of information technologies from communications to sensing and computing.
However a major challenge in developing these technologies is that the quantum phenomena are very fragile, and only a handful of physical systems have been...
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24.05.2019 | Life Sciences