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664 积分 2022-07-31 加入
READRetro: natural product biosynthesis predicting with retrieval‐augmented dual‐view retrosynthesis
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Predicting Protein–Peptide Interactions: Benchmarking Deep Learning Techniques and a Comparison with Focused Docking
1个月前
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Computational design of serine hydrolases
1个月前
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Oxidative Decarboxylation of Short‐Chain Fatty Acids to 1‐Alkenes
1个月前
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α-Oxidative decarboxylation of fatty acids catalysed by cytochrome P450 peroxygenases yielding shorter-alkyl-chain fatty acids
1个月前
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PointSite: A Point Cloud Segmentation Tool for Identification of Protein Ligand Binding Atoms
1个月前
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Discovery of Cycloalkyl[c]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2α Inhibitors
1个月前
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Chemoenzymatic Synthesis of Fragrance Compounds from Stearic Acid
1个月前
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Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels
1个月前
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Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
2个月前
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