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Computational approaches for the identification of novel metal-binding pharmacophores: advances and challenges.

Drug Discov Today

January 2025

State Key Laboratory of Digestive Health, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050 China; Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050 China. Electronic address:

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