Molecular tweaking by generative cheminformatics and ligand–protein structures for rational drug discovery

The importance of structure-guided-drug design through collaboration of synthetic and medicinal chemistry with structural biology and artificial intelligence is presented as an accelerated drug discovery platform. [Display omitted] The purpose of this review is two-fold: (1) to summarize artificial...

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Veröffentlicht in:	Bioorganic chemistry 2024-12, Vol.153, p.107920, Article 107920
1. Verfasser:	Nangia, Ashwini K.
Format:	Artikel
Sprache:	eng
Schlagworte:	Artificial Intelligence Chemical synthesis Cheminformatics - methods Crystal structure Drug Discovery Humans Ligands Ligand–protein Machine Learning Molecular Structure Natural product Proteins - antagonists & inhibitors Proteins - chemistry Proteins - metabolism
Online-Zugang:	Volltext
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