De novo design of peptide binders to conformationally diverse targets with contrastive language modeling
Sign Up to like & getrecommendations! Published in 2024 at "Science Advances"
DOI: 10.1101/2023.06.26.546591
Abstract: Designing binders to target undruggable proteins presents a formidable challenge in drug discovery, requiring innovative approaches to overcome the lack of putative binding sites. Recently, generative models have been trained to design binding proteins via… read more here.
Keywords: conformationally diverse; design peptide; language; design ... See more keywords
Design and Synthesis of Conformationally Diverse Pyrimidine-Embedded Medium/Macro- and Bridged Cycles via Skeletal Transformation
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.841250
Abstract: The rigidity and flexibility of small molecules are complementary in 3-dimensional ligand-protein interaction. Therefore, the chemical library with conformational diversity would be a valuable resource for investigating the influence of skeletal flexibility on the biological… read more here.
Keywords: medium macro; diverse pyrimidine; embedded medium; conformationally diverse ... See more keywords