Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d ...

Department of Chemistry, Iowa State University, Ames, Iowa 50011, RICS, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan, and ...

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Roche's Genentech is sticking with Orionis Biosciences, handing over $105 million upfront as part of its second deal with the molecular glue biotech. The latest multiyear collaboration will be ...

The model is supposed to combine structure prediction and molecular design at an atomic level and thereby allow for AI-based generation of molecular glues and other protein-protein interaction ...

A single atom has performed the first full quantum simulations of how certain molecules react to light. The researchers who carried out the feat say that their minimalistic approach could ...

p and d orbitals and shapes of some simple molecules, molecular orbital theory of homonuclear diatomic molecules (qualitative idea only), Hydrogen bond. Unit 5: Chemical Thermodynamics Concepts of ...

A research team at the University of Barcelona's Institute of Neurosciences (UBneuro) has discovered new molecular mechanisms related to the cognitive decline associated with Alzheimer's disease ...