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NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules

Virtual screening is a cost- and time-effective alternative to traditional high-throughput screening in the drug discovery process. Both virtual screening approaches, structure-based molecular docking and ligand-based cheminformatics, suffer from computational cost, low accuracy, and/or reliance on...

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Detalles Bibliográficos
Autores principales:	Sha, Congzhou M., Wang, Jian, Dokholyan, Nikolay V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8980736/ https://www.ncbi.nlm.nih.gov/pubmed/35392534 http://dx.doi.org/10.3389/fmolb.2022.867241

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