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  1. Article

    Open Access

    Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

    The study of drug–target interactions (DTIs) affinity plays an important role in safety assessment and pharmacology. Currently, quantitative structure–activity relationship (QSAR) and molecular docking (MD) ar...

    **an-rui Wang, Ting-ting Cao, Cong Min Jia, Xue-mei Tian, Yun Wang in BMC Bioinformatics (2021)