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Generative Access to Make-on-Demand Chemical Space Enables Ultra-Large Virtual Screening
Ultra-large-scale virtual screening (ULVS) increasingly relies on make-on-demand chemical spaces, but efficient access to these spaces remains challenging because their scale far exceeds what can be exhaustively enumerated and docked. Here, we present REAL-SWIT, a generative ULVS framework that learns Enamine REAL Spac...
Structure Basis for Chloride Recognition and Transport by Human Kidney Brain Anion Transporter (KBAT)
SLC26A11, also known as the kidney and brain anion transporter (KBAT), mediates the transport of multiple anionic substrates across the plasma membrane. It is highly enriched in cerebellar Purkinje cells, where loss of KBAT results in hyperpolarized membrane potentials and increased intrinsic firing frequency, correlat...