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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)
This study presents the structure of full-length human KBAT in an inward-facing conformation with chloride ions (Cl−) bound, and provides a critical foundation for comprehensively understanding the recognition and transport mechanisms of human KBAT.