Toward high-resolution modeling of small molecule–ion channel interactions

Ion channels are critical drug targets for a range of pathologies, such as epilepsy, pain, itch, autoimmunity, and cardiac arrhythmias. To develop effective and safe therapeutics, it is necessary to design small molecules with high potency and selectivity for specific ion channel subtypes. There has...

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Hlavní autoři:	Brandon J. Harris, Phuong T. Nguyen, Guangfeng Zhou, Heike Wulff, Frank DiMaio, Vladimir Yarov-Yarovoy
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Frontiers Media S.A. 2024-06-01
Edice:	Frontiers in Pharmacology
Témata:	Rosetta ligand docking ion channel computational modeling ligand–protein interactions computer-aided drug discovery
On-line přístup:	https://www.frontiersin.org/articles/10.3389/fphar.2024.1411428/full
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