The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...
On 25 April 1953, Watson and Crick published an article, in the acclaimed journal “Nature” titled “Molecular structure of nucleic acids: A structure for deoxyribonucleic acid”. The one-page article ...
Drug Hunter, the intelligence platform for drug discovery teams, today announced the launch of Molecule Search, a significant ...
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How chemistry shapes what molecules do
From the locked geometry of cis-trans isomers to the invisible tug-of-war of molecular polarity, chemistry’s building blocks determine how substances behave. These structural differences influence ...
Simulating how atoms and molecules move over time is a central challenge in computational chemistry and materials science.
Posts from this topic will be added to your daily email digest and your homepage feed. AlphaFold 3 uses the same method as AI image generators to predict how different molecules fit together.
Members of the Nobel Committee for Chemistry hold a model of a metal-organic framework during the 2025 prize announcement in Stockholm on October 8. Jonathan Nackstrand / AFP via Getty Images Three ...
Google DeepMind's groundbreaking new AI predicts not only the structure of proteins, ligands, DNA, RNA and "all of life's molecules," but how they'll interact. It promises a radical, revolutionary ...
Researchers have now uncovered the 3D structure of the RNA enzyme SAMURI. Their study provides insights into the development of ribozymes and the evolution of catalytically active RNA. Researchers led ...
A new paper describes a molecular material that combines a stable internal magnetic structure with almost no external ...
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