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	<title>protein-ligand interaction physics &#8211; BIOENGINEER.ORG</title>
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		<title>Vanderbilt Researcher Overcomes Major Challenge in AI-Driven Drug Discovery</title>
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		<pubDate>Thu, 16 Oct 2025 21:33:36 +0000</pubDate>
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		<category><![CDATA[AI-driven drug discovery]]></category>
		<category><![CDATA[binding affinity prediction]]></category>
		<category><![CDATA[computational drug design innovation]]></category>
		<category><![CDATA[machine learning generalizability]]></category>
		<category><![CDATA[protein-ligand interaction physics]]></category>
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					<description><![CDATA[In the relentless quest to accelerate drug discovery and reduce astronomical costs, researchers are increasingly turning to machine learning to revolutionize the initial phases of identifying promising therapeutic compounds. At the heart of drug development lies the challenge of pinpointing “hit” compounds—molecules exhibiting high potency, selectivity, and favorable pharmacokinetic properties—which can serve as viable candidates [&#8230;]]]></description>
		
		
		
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