Virtual Screening

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Scoured 7 posts in 7.6 ms

ShallowBench: Benchmarking Generative Drug Design Models on Shallow-Pocket Targets

馃敥Molecular DockingContent type: Academic
arxiv.org
Less-relevant results

GSK to Acquire Nuvalent for $10.6B, Boosting Cancer Pipeline with Precision NSCLC Treatments

馃敥Molecular DockingContent type: News
genengnews.com

Structure-guided compound prioritization strategy for virtual screening identifies putative binders for the nuclear receptor LRH-1

馃捇CADDContent type: Academic
biorxiv.org

Single-cell and experimental analyses identify mitochondria-related genes Hmgcs2, Nudt5, and Cpt1c in painful diabetic peripheral neuropathy

馃捇CADDContent type: Academic
nature.com

An accurate nucleic acid-small molecule docking framework via geometric deep learning with large-scale pretraining

鈿楋笍Chemistry Machine LearningContent type: Academic
arxiv.org

Prediction variability in physiologically based pharmacokinetic modeling of tissue disposition under deep uncertainty

馃幆Drug HunterContent type: Academic
nature.com

Integrative multi-scale analysis reveals a candidate melatonin receptor associated with early salinity response networks in barley

馃捇CADDContent type: Academic
nature.com

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