Results 51 to 60 of about 7,871,511 (280)
Chemical accuracy for the van der Waals density functional
Journal of Physics: Condensed Matter, 2009 5 pages, 2 figures, 2 ...
Klimes, J. +2 more
openaire +3 more sources
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Nature Communications, 2019 Computational modelling of chemical systems requires a balance between accuracy and computational cost. Here the authors use transfer learning to develop a general purpose neural network potential that approaches quantum-chemical accuracy for reaction ...
Justin S. Smith +8 more
doaj +1 more source
Translophagy—A potential link between autophagy impairment and translational errors
FEBS Letters, EarlyView.Neurodegenerative diseases are characterised by the accumulation of abnormal proteins and protein aggregates, but their origin often remains unknown. We propose that selective autophagy removes damaged protein‐making machinery, preventing errors during protein synthesis.
Mykola V. Korolchuk +11 more
wiley +1 more source
, 1963 Quarterly supplement for "the regular journals of the American Chemical Society," containing annotated bibliographies of chemical documentation literature as well as information about meetings, conferences, awards, scholarships, and other news from the ...
American Chemical Society. Division of Chemical Literature. +1 more
core +2 more sources
On the Accuracy of Chemical Structures Found on the Internet
, 2013 The Internet has been widely lauded as a great equalizer of information access. However, the absence of any central authority on content places the burden on the end-user to verify the quality of the information accessed. We have examined the accuracy of the chemical structures of ca. 200 major pharmaceutical products that can be found on the internet.
Williams, Antony +5 more
openaire +1 more source
Chiral separation of chloroalkanes with the chromatographic column onboard Martian rovers
FEBS Letters, EarlyView.Computer image of the Rosalind Franklin Rover of ESA's ExoMars mission. ExoMars is scheduled to land on planet Mars in Oxia Planum in 2029. This area represents an interesting spot to look for biosignatures. Investigations of ExoMars include measurement on molecular chirality. We show that chiral chloroalkanes, that have been identified on Mars, can be
Asma Merzougui +4 more
wiley +1 more source
, 1969 Quarterly supplement for "the regular journals of the American Chemical Society," containing annotated bibliographies of chemical documentation literature as well as information about meetings, conferences, awards, scholarships, and other news from the ...
American Chemical Society. Division of Chemical Literature.
core +1 more source
Operator Quantum Machine Learning: Navigating the Chemical Space of Response Properties
CHIMIA, 2019 The identification and use of structure–property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of chemical compound space (CCS), imposing substantial compute ...
Anders S. Christensen +1 more
doaj +1 more source
Numerical solution of stiff systems of differential equations arising from chemical reactions [PDF]
Iranian Journal of Numerical Analysis and Optimization, 2014 Long time integration of large stiff systems of initial value problems, arising from chemical reactions, demands efficient methods with good accuracy and extensive absolute stability region.
Gholamreza Hojjati +3 more
doaj +1 more source