CADD

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computer-aided drug design, computational drug discovery, molecular modeling

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Scoured 6 posts in 16.1 ms

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

聽馃ИCheminformatics 聽Content type: Academic
biorxiv.org路
Less-relevant results

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

聽馃敩Virtual Screening 聽Content type: Academic
nature.com路

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

聽鈿楋笍Chemistry Machine Learning 聽Content type: Academic
arxiv.org路

Iterative AI-guided optimisation of selective triple-drug combinations for breast cancer

聽馃ИCheminformatics 聽Content type: Academic
arxiv.org路

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

聽馃幆Drug Hunter 聽Content type: Academic
nature.com路

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

聽馃敥Molecular Docking 聽Content type: Academic
nature.com路

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