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Angewandte Chemie (International Ed. in English)|May 14, 2026
The Role of Shape Commensurability in Chirality Transfer: Gold Nanoshape Solutes in a Discotic Nematic Liquid Crystal SolventGourab Acharjee, Lara Querciagrossa, Grace A R Rohaley, et al.Journal of Chemical Theory and Computation|May 13, 2026
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose SelectionSebastian Wingbermühle, Akash Deep Biswas, Domenico Bonanni, et al.Pageof 2