Cover graphics
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Amino domino: shifting the frame of reference in the 60-year-old Ramachandran plot and examining pairs of dihedral angles across the peptide bond unveils that amino acid pairs, akin to dominos, form units of backbone structure and predict protein properties like stability changes as a result of mutation.
Cover concept for PNAS featuring the paper An amino domino model described by a cross peptide bond Ramachandran plot defines amino acid pairs as local structural units. |
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GaUDI is a guided diffusion method for design of molecular structures that features a flexible and scalable target function and achieves high validity of generated molecules.Cover for Nature Computational Science (vol. 3, issue 10) featuring the paper Guided Diffusion for Inverse Molecular Design. Design in collaboration with Roi Poranne. |
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A multilayer transformer network, trained on a graph-of-rings representation, leads to the elucidation of the role of π–π stacking, shown as white light highlighting the overlapping rings.
Cover for the Journal of Organic Chemistry (vol. 88, issue 14) featuring the paper Interpretable deep learning unveils structure-property relationships in polybenzenoid hydrocarbons. |
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A twisted pentacene molecule.
Cover for Organic Chemistry Frontiers. |