#drug design — Tuesday, September 01, 2026 (3 items)
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Design and structural basis of selective nonsteroidal inhibitors of aster cholesterol trafficking.
(pnas.org)
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PNAS 2026-09-01 | #cholesterol #inhibitor #protein structure #drug design #selectivity | |
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MSF-HierGNN: a multi-source substructure-fusion hierarchical GNN method and web server to predict molecular property for drug design.
(academic.oup.com)
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Briefings in Bioinformatics 2026-09-01 | #drug design #molecular-property-prediction #chemoinformatics #graph neural network #machine learning | |
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MMP2Mol: a matched molecular pairs-based framework for ligand-based de novo drug design.
(academic.oup.com)
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Briefings in Bioinformatics 2026-09-01 | #drug design #molecular_generation #generative_models #ligand-based #cheminformatics |