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Solution‐processable conducting polymers (CPs) are a compelling alternative to inorganic counterparts because of their potential for tuning chemical properties and creating flexible organic electronics. CPs, which typically comprise either only an electron donor (D) or its alternative combinations with an electron acceptor (A), exhibit charge transfer behavior between the units, resulting in an electrical...
The microbial enzyme DapE plays a critical role in the lysine biosynthetic pathway and is considered as a potentially safe antibiotic target. In this study, atomistic simulations are employed to identify the modes of essential dynamics that define the conformational response of the enzyme to ligand binding and unbinding. The binding modes and the binding affinities of the products to the DapE enzyme...