Mind the Gap—Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence

G protein-coupled receptors (GPCRs) are amongst the most pharmaceutically relevant and well-studied protein targets, yet unanswered questions in the field leave significant gaps in our understanding of their nuanced structure and function. Three-dimensional pharmacophore models are powerful computat...

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Autors principals:	Theresa Noonan, Katrin Denzinger, Valerij Talagayev, Yu Chen, Kristina Puls, Clemens Alexander Wolf, Sijie Liu, Trung Ngoc Nguyen, Gerhard Wolber
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2022-10-01
Col·lecció:	Pharmaceuticals
Matèries:	ligand-based pharmacophores structure-based pharmacophores virtual screening drug design machine learning molecular dynamics
Accés en línia:	https://www.mdpi.com/1424-8247/15/11/1304
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