Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
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DOI: 10.3389/fchem.2022.1012507
Abstract: The identification and optimization of promising lead molecules is essential for drug discovery. Recently, artificial intelligence (AI) based generative methods provided complementary approaches for generating molecules under specific design constraints of relevance in drug design.… read more here.
Keywords: protein binding; design; interactions protein; optimizing interactions ... See more keywords