Stereochemistry of Organic Compounds

By E. Eliel, S. Wilen, L. Mander. 1962

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State-specific protein–ligand complex structure prediction with a multiscale deep generative model (2022, neutral): “…a single chain for monomers and multiple chains for protein complexes) and, when the binding ligands (one or multiple molecules) are present, a set of molecular graphs { G } containing atomic numbers, bond types and stereo-chemistry labels (for example, tetrahedral or E / Z isomerism 42 ).”
Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models (2022, background): “…model inputs are a receptor protein backbone template containing the amino acid sequence s and (N, C α , C) atomic coordinates ˜ x ∈ R n res × 3 × 3 , and a set of ligand molecular graphs {G k } Kk =1 containing atom/bond types and stereochemistry labels (e.g., tetrahedral or E/Z isomerism [29]).”
Optical rotation studied by density-functional and coupled-cluster methods (2002, background): “atropisomerism of biphenyls, an important characteristic in organic stereochemistry [31].”